N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C20H21ClN4O2 — CID 46962538

IUPACN-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCc3c2cnn3Cc2cccc(Cl)c2)o1
InChIInChI=1S/C20H21ClN4O2/c1-12-19(27-13(2)23-12)20(26)24-17-7-4-8-18-16(17)10-22-25(18)11-14-5-3-6-15(21)9-14/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,24,26)
InChIKeyWODCAHTXCMRCAP-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.00
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 46962538) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID46962538
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCc3c2cnn3Cc2cccc(Cl)c2)o1
InChIInChI=1S/C20H21ClN4O2/c1-12-19(27-13(2)23-12)20(26)24-17-7-4-8-18-16(17)10-22-25(18)11-14-5-3-6-15(21)9-14/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,24,26)
InChIKeyWODCAHTXCMRCAP-UHFFFAOYSA-N
XLogP4.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
CID 46962535
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 51494543
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide
CID 110236813
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-[(4S)-1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-4-carboxamide
CID 95856441
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46402081
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
CID 167848496

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 46962538) is N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCCc3c2cnn3Cc2cccc(Cl)c2)o1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WODCAHTXCMRCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12-19(27-13(2)23-12)20(26)24-17-7-4-8-18-16(17)10-22-25(18)11-14-5-3-6-15(21)9-14/h3,5-6,9-10,17H,4,7-8,11H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46962538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).