N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide

C14H15ClN4O3 — CID 166369151

IUPACN-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)co1
InChIInChI=1S/C14H15ClN4O3/c15-9-4-2-1-3-8(9)10(5-12(17)20)19-14(21)11-7-22-13(6-16)18-11/h1-4,7,10H,5-6,16H2,(H2,17,20)(H,19,21)/t10-/m1/s1
InChIKeyIZDXAPZIZNSQKI-SNVBAGLBSA-N
MW322.75 g/mol
LogP1.13
Rot. Bonds6

About N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide

N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide (PubChem CID 166369151) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide
PubChem CID166369151
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC NameN-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)co1
InChIInChI=1S/C14H15ClN4O3/c15-9-4-2-1-3-8(9)10(5-12(17)20)19-14(21)11-7-22-13(6-16)18-11/h1-4,7,10H,5-6,16H2,(H2,17,20)(H,19,21)/t10-/m1/s1
InChIKeyIZDXAPZIZNSQKI-SNVBAGLBSA-N
XLogP1.13
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 131896292
(3S)-3-(2-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 94182414
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166216619
3-(2-chlorophenyl)pentanediamide
CID 13034531
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide
CID 143934438
3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 71240031
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
(3S)-3-(2-chlorophenyl)-3-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 95770938
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide (CID 166369151) is N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide is NCc1nc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)co1.
What is the InChIKey of N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IZDXAPZIZNSQKI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c15-9-4-2-1-3-8(9)10(5-12(17)20)19-14(21)11-7-22-13(6-16)18-11/h1-4,7,10H,5-6,16H2,(H2,17,20)(H,19,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide?
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-2-(aminomethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166369151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).