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

C14H15ClN2O2 — CID 110714789

IUPAC2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(19-10(2)17-9)8-16-14(18)7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyKXKZXYBLXSMTKS-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.80
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide (PubChem CID 110714789) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide
PubChem CID110714789
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(19-10(2)17-9)8-16-14(18)7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyKXKZXYBLXSMTKS-UHFFFAOYSA-N
XLogP2.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110714847
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide (CID 110714789) is 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide is Cc1nc(C)c(CNC(=O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide?
The InChIKey is KXKZXYBLXSMTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-13(19-10(2)17-9)8-16-14(18)7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide has a molecular weight of 278.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110714789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).