N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C16H20ClN3O2 — CID 119587682

IUPACN-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H20ClN3O2/c1-10(2)7-13(9-18)19-16(21)14-8-15(22-20-14)11-3-5-12(17)6-4-11/h3-6,8,10,13H,7,9,18H2,1-2H3,(H,19,21)
InChIKeyCAYJDWFPFOXQQW-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.10
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 119587682) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID119587682
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H20ClN3O2/c1-10(2)7-13(9-18)19-16(21)14-8-15(22-20-14)11-3-5-12(17)6-4-11/h3-6,8,10,13H,7,9,18H2,1-2H3,(H,19,21)
InChIKeyCAYJDWFPFOXQQW-UHFFFAOYSA-N
XLogP3.10
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 119585912
N-(2-amino-1-cyclopropylethyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119616138
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119570935
5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 69402172
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 119364265
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanamide
CID 119586588
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 119587682) is N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is CC(C)CC(CN)NC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CAYJDWFPFOXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-10(2)7-13(9-18)19-16(21)14-8-15(22-20-14)11-3-5-12(17)6-4-11/h3-6,8,10,13H,7,9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119587682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).