[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate

C16H17ClN2O5 — CID 8617258

IUPAC[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)O[C@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H17ClN2O5/c1-9-6-14(19-24-9)18-16(21)10(2)23-15(20)8-11-7-12(17)4-5-13(11)22-3/h4-7,10H,8H2,1-3H3,(H,18,19,21)/t10-/m1/s1
InChIKeyLWVYMQSYFFLGMD-SNVBAGLBSA-N
MW352.77 g/mol
LogP2.76
Rot. Bonds6

About [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8617258) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8617258
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)O[C@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H17ClN2O5/c1-9-6-14(19-24-9)18-16(21)10(2)23-15(20)8-11-7-12(17)4-5-13(11)22-3/h4-7,10H,8H2,1-3H3,(H,18,19,21)/t10-/m1/s1
InChIKeyLWVYMQSYFFLGMD-SNVBAGLBSA-N
XLogP2.76
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate 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

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982322
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617185
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616935
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534958
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616994
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617140
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985472
3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134005117
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952640
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737806
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-chloro-2-methoxybenzoate
CID 24527048

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8617258) is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)O[C@H](C)C(=O)Nc1cc(C)on1.
What is the InChIKey of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is LWVYMQSYFFLGMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClN2O5/c1-9-6-14(19-24-9)18-16(21)10(2)23-15(20)8-11-7-12(17)4-5-13(11)22-3/h4-7,10H,8H2,1-3H3,(H,18,19,21)/t10-/m1/s1.
What are the key properties of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate?
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 352.77 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8617258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).