N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C15H17ClN2O3 — CID 99834666

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCOc1cccc(Cl)c1CNC(=O)Cc1c(C)noc1C
InChIInChI=1S/C15H17ClN2O3/c1-9-11(10(2)21-18-9)7-15(19)17-8-12-13(16)5-4-6-14(12)20-3/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyXACPLJXAZVWCGE-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.81
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 99834666) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID99834666
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCOc1cccc(Cl)c1CNC(=O)Cc1c(C)noc1C
InChIInChI=1S/C15H17ClN2O3/c1-9-11(10(2)21-18-9)7-15(19)17-8-12-13(16)5-4-6-14(12)20-3/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyXACPLJXAZVWCGE-UHFFFAOYSA-N
XLogP2.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 75459956
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
CID 47916263
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 99834666) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is COc1cccc(Cl)c1CNC(=O)Cc1c(C)noc1C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is XACPLJXAZVWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9-11(10(2)21-18-9)7-15(19)17-8-12-13(16)5-4-6-14(12)20-3/h4-6H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 308.76 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 99834666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).