N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole

C122H135Cl3N32O9S — CID 158392702

IUPACN-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(-c2ccc(-c3ccccc3)cc2)nn1.CC(C)n1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.CC(C)n1cc(CCC(=O)NC2=NN(c3ccccc3)C(=O)C2)nn1.CC(C)n1cc(CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.CC(C)n1cc(CCC(=O)Nc2nc3cc(Cl)ccc3o2)nn1.COc1ccc2[nH]cc(CCNC(=O)c3cn(C(C)C)nn3)c2c1.Cc1ccc2nc(NC(=O)CCc3cn(C(C)C)nn3)sc2c1
InChIInChI=1S/C21H23ClN4O.C19H19ClN4O.C17H20N6O2.C17H21N5O2.C17H17N3.C16H19N5OS.C15H16ClN5O2/c1-15(2)26-14-20(24-25-26)11-12-21(27)23-13-16-3-5-17(6-4-16)18-7-9-19(22)10-8-18;1-13(2)24-12-18(22-23-24)19(25)21-11-14-3-5-15(6-4-14)16-7-9-17(20)10-8-16;1-12(2)22-11-13(19-21-22)8-9-16(24)18-15-10-17(25)23(20-15)14-6-4-3-5-7-14;1-11(2)22-10-16(20-21-22)17(23)18-7-6-12-9-19-15-5-4-13(24-3)8-14(12)15;1-13(2)20-12-17(18-19-20)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-10(2)21-9-12(19-20-21)5-7-15(22)18-16-17-13-6-4-11(3)8-14(13)23-16;1-9(2)21-8-11(19-20-21)4-6-14(22)18-15-17-12-7-10(16)3-5-13(12)23-15/h3-10,14-15H,11-13H2,1-2H3,(H,23,27);3-10,12-13H,11H2,1-2H3,(H,21,25);3-7,11-12H,8-10H2,1-2H3,(H,18,20,24);4-5,8-11,19H,6-7H2,1-3H3,(H,18,23);3-13H,1-2H3;4,6,8-10H,5,7H2,1-3H3,(H,17,18,22);3,5,7-9H,4,6H2,1-2H3,(H,17,18,22)
InChIKeyGXDWNSISLQHNFB-UHFFFAOYSA-N
MW2332.06 g/mol
LogP23.28
Rot. Bonds36

About N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole

N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole (PubChem CID 158392702) has the molecular formula C122H135Cl3N32O9S and a molecular weight of 2332.06 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole
PubChem CID158392702
Molecular FormulaC122H135Cl3N32O9S
Molecular Weight2332.06 g/mol
Exact Mass2328.99
IUPAC NameN-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(-c2ccc(-c3ccccc3)cc2)nn1.CC(C)n1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.CC(C)n1cc(CCC(=O)NC2=NN(c3ccccc3)C(=O)C2)nn1.CC(C)n1cc(CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.CC(C)n1cc(CCC(=O)Nc2nc3cc(Cl)ccc3o2)nn1.COc1ccc2[nH]cc(CCNC(=O)c3cn(C(C)C)nn3)c2c1.Cc1ccc2nc(NC(=O)CCc3cn(C(C)C)nn3)sc2c1
InChIInChI=1S/C21H23ClN4O.C19H19ClN4O.C17H20N6O2.C17H21N5O2.C17H17N3.C16H19N5OS.C15H16ClN5O2/c1-15(2)26-14-20(24-25-26)11-12-21(27)23-13-16-3-5-17(6-4-16)18-7-9-19(22)10-8-18;1-13(2)24-12-18(22-23-24)19(25)21-11-14-3-5-15(6-4-14)16-7-9-17(20)10-8-16;1-12(2)22-11-13(19-21-22)8-9-16(24)18-15-10-17(25)23(20-15)14-6-4-3-5-7-14;1-11(2)22-10-16(20-21-22)17(23)18-7-6-12-9-19-15-5-4-13(24-3)8-14(12)15;1-13(2)20-12-17(18-19-20)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-10(2)21-9-12(19-20-21)5-7-15(22)18-16-17-13-6-4-11(3)8-14(13)23-16;1-9(2)21-8-11(19-20-21)4-6-14(22)18-15-17-12-7-10(16)3-5-13(12)23-15/h3-10,14-15H,11-13H2,1-2H3,(H,23,27);3-10,12-13H,11H2,1-2H3,(H,21,25);3-7,11-12H,8-10H2,1-2H3,(H,18,20,24);4-5,8-11,19H,6-7H2,1-3H3,(H,18,23);3-13H,1-2H3;4,6,8-10H,5,7H2,1-3H3,(H,17,18,22);3,5,7-9H,4,6H2,1-2H3,(H,17,18,22)
InChIKeyGXDWNSISLQHNFB-UHFFFAOYSA-N
XLogP23.28
TPSA486.18 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.06
LogP ≤ 523.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

Analyze N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole with MolForge

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Related Compounds

1-[4-(1,3-benzothiazol-2-ylamino)-5-chloro-2-fluorophenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(4-chloro-1,3-benzothiazol-2-yl)amino]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-1,2-benzothiazole-3-carboxamide;N-[5-chloro-2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindazole-3-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-7-fluoro-1H-indole-3-carboxamide;1-[4-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[4-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one
CID 160822401

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole?
The IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole (CID 158392702) is N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole.
What is the SMILES notation for N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole?
The canonical SMILES for N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole is CC(C)n1cc(-c2ccc(-c3ccccc3)cc2)nn1.CC(C)n1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.CC(C)n1cc(CCC(=O)NC2=NN(c3ccccc3)C(=O)C2)nn1.CC(C)n1cc(CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.CC(C)n1cc(CCC(=O)Nc2nc3cc(Cl)ccc3o2)nn1.COc1ccc2[nH]cc(CCNC(=O)c3cn(C(C)C)nn3)c2c1.Cc1ccc2nc(NC(=O)CCc3cn(C(C)C)nn3)sc2c1.
What is the InChIKey of N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole?
The InChIKey is GXDWNSISLQHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O.C19H19ClN4O.C17H20N6O2.C17H21N5O2.C17H17N3.C16H19N5OS.C15H16ClN5O2/c1-15(2)26-14-20(24-25-26)11-12-21(27)23-13-16-3-5-17(6-4-16)18-7-9-19(22)10-8-18;1-13(2)24-12-18(22-23-24)19(25)21-11-14-3-5-15(6-4-14)16-7-9-17(20)10-8-16;1-12(2)22-11-13(19-21-22)8-9-16(24)18-15-10-17(25)23(20-15)14-6-4-3-5-7-14;1-11(2)22-10-16(20-21-22)17(23)18-7-6-12-9-19-15-5-4-13(24-3)8-14(12)15;1-13(2)20-12-17(18-19-20)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-10(2)21-9-12(19-20-21)5-7-15(22)18-16-17-13-6-4-11(3)8-14(13)23-16;1-9(2)21-8-11(19-20-21)4-6-14(22)18-15-17-12-7-10(16)3-5-13(12)23-15/h3-10,14-15H,11-13H2,1-2H3,(H,23,27);3-10,12-13H,11H2,1-2H3,(H,21,25);3-7,11-12H,8-10H2,1-2H3,(H,18,20,24);4-5,8-11,19H,6-7H2,1-3H3,(H,18,23);3-13H,1-2H3;4,6,8-10H,5,7H2,1-3H3,(H,17,18,22);3,5,7-9H,4,6H2,1-2H3,(H,17,18,22).
What are the key properties of N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole?
N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole has a molecular weight of 2332.06 g/mol, XLogP of 23.28, 36 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-yltriazole-4-carboxamide;N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide;N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1-propan-2-yltriazol-4-yl)propanamide;4-(4-phenylphenyl)-1-propan-2-yltriazole is sourced from PubChem (CID 158392702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).