[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C15H16ClN3O4 — CID 27062703

IUPAC[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O4/c1-8-12(13(17)23-19-8)15(21)22-9(2)14(20)18-7-10-5-3-4-6-11(10)16/h3-6,9H,7,17H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyXVKGDNNXUPCZOL-VIFPVBQESA-N
MW337.76 g/mol
LogP2.08
Rot. Bonds5

About [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 27062703) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID27062703
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O4/c1-8-12(13(17)23-19-8)15(21)22-9(2)14(20)18-7-10-5-3-4-6-11(10)16/h3-6,9H,7,17H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyXVKGDNNXUPCZOL-VIFPVBQESA-N
XLogP2.08
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate 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

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8959000
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639441
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383453
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384418
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromobenzoate
CID 46618829
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11938840
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 55443291
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42885407
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618549

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 27062703) is [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XVKGDNNXUPCZOL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-8-12(13(17)23-19-8)15(21)22-9(2)14(20)18-7-10-5-3-4-6-11(10)16/h3-6,9H,7,17H2,1-2H3,(H,18,20)/t9-/m0/s1.
What are the key properties of [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 337.76 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 27062703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).