methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate

C14H13ClN2O4 — CID 651066

IUPACmethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C14H13ClN2O4/c1-8-12(14(19)16-7-11(18)20-2)13(17-21-8)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyZTLCHTJPVBVSOU-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate

methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate (PubChem CID 651066) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
PubChem CID651066
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Namemethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C14H13ClN2O4/c1-8-12(14(19)16-7-11(18)20-2)13(17-21-8)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyZTLCHTJPVBVSOU-UHFFFAOYSA-N
XLogP2.21
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate with MolForge

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]carbonyl}glycine
CID 426788
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1368511
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2481042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate (CID 651066) is methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
The InChIKey is ZTLCHTJPVBVSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-8-12(14(19)16-7-11(18)20-2)13(17-21-8)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate?
methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate has a molecular weight of 308.72 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 651066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).