methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate

C19H24ClN3O4 — CID 5158045

IUPACmethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate
SMILESCCC(C)C(N)c1nc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)OC)co1
InChIInChI=1S/C19H24ClN3O4/c1-4-11(2)16(21)18-23-15(10-27-18)17(24)22-14(19(25)26-3)9-12-5-7-13(20)8-6-12/h5-8,10-11,14,16H,4,9,21H2,1-3H3,(H,22,24)
InChIKeyYURYAAFDQDYGRG-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.89
Rot. Bonds8

About methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate

methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate (PubChem CID 5158045) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate
PubChem CID5158045
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Namemethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate
SMILESCCC(C)C(N)c1nc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)OC)co1
InChIInChI=1S/C19H24ClN3O4/c1-4-11(2)16(21)18-23-15(10-27-18)17(24)22-14(19(25)26-3)9-12-5-7-13(20)8-6-12/h5-8,10-11,14,16H,4,9,21H2,1-3H3,(H,22,24)
InChIKeyYURYAAFDQDYGRG-UHFFFAOYSA-N
XLogP2.89
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate with MolForge

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Related Compounds

methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 3682689
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-amino-2-methylbutyl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3868304
2-(1-amino-2-methylbutyl)-N-[4-[2-(4-aminophenyl)ethyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3866544
ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3782207
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate?
The IUPAC name of methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate (CID 5158045) is methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate?
The canonical SMILES for methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate is CCC(C)C(N)c1nc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)OC)co1.
What is the InChIKey of methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate?
The InChIKey is YURYAAFDQDYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-4-11(2)16(21)18-23-15(10-27-18)17(24)22-14(19(25)26-3)9-12-5-7-13(20)8-6-12/h5-8,10-11,14,16H,4,9,21H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate?
methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate has a molecular weight of 393.87 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 5158045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).