2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide

C13H13ClN2O3 — CID 13362983

IUPAC2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(=O)CCl)c2C)cc1
InChIInChI=1S/C13H13ClN2O3/c1-8-12(9-3-5-10(18-2)6-4-9)16-19-13(8)15-11(17)7-14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyGNYMETBTBZTVBV-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide

2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 13362983) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID13362983
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(=O)CCl)c2C)cc1
InChIInChI=1S/C13H13ClN2O3/c1-8-12(9-3-5-10(18-2)6-4-9)16-19-13(8)15-11(17)7-14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyGNYMETBTBZTVBV-UHFFFAOYSA-N
XLogP2.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 174583815
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
2-chloro-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
CID 44669186
2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
CID 171990986
methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 90960617
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866
ethyl 3-(4-chlorophenyl)-5-[[2-(4-methylphenoxy)acetyl]amino]-1,2-oxazole-4-carboxylate
CID 108742922
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide (CID 13362983) is 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2noc(NC(=O)CCl)c2C)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is GNYMETBTBZTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-12(9-3-5-10(18-2)6-4-9)16-19-13(8)15-11(17)7-14/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide?
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 280.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 13362983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).