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

C15H15ClN2O4 — CID 33135973

IUPAC[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCNC(=O)[C@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C15H15ClN2O4/c1-8-12(15(20)22-9(2)13(19)17-3)18-14(21-8)10-4-6-11(16)7-5-10/h4-7,9H,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyGGVBGCNUMZWQMV-VIFPVBQESA-N
MW322.75 g/mol
LogP2.59
Rot. Bonds4

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

[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 33135973) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID33135973
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCNC(=O)[C@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C15H15ClN2O4/c1-8-12(15(20)22-9(2)13(19)17-3)18-14(21-8)10-4-6-11(16)7-5-10/h4-7,9H,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyGGVBGCNUMZWQMV-VIFPVBQESA-N
XLogP2.59
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42885988
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CID 40712351
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CID 4961939
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CID 7726785
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950182
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 41296538
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8882774
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate (CID 33135973) is [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate is CNC(=O)[C@H](C)OC(=O)c1nc(-c2ccc(Cl)cc2)oc1C.
What is the InChIKey of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is GGVBGCNUMZWQMV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-8-12(15(20)22-9(2)13(19)17-3)18-14(21-8)10-4-6-11(16)7-5-10/h4-7,9H,1-3H3,(H,17,19)/t9-/m0/s1.
What are the key properties of [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate?
[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 322.75 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 33135973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).