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

C17H21ClN2O2 — CID 154880534

IUPAC2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CN(Cc2c(C)noc2C)C(=O)CCl)c(C)c1
InChIInChI=1S/C17H21ClN2O2/c1-11-5-6-15(12(2)7-11)9-20(17(21)8-18)10-16-13(3)19-22-14(16)4/h5-7H,8-10H2,1-4H3
InChIKeyXZXOMRWMTSUSEF-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.68
Rot. Bonds5

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

2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide (PubChem CID 154880534) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide
PubChem CID154880534
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CN(Cc2c(C)noc2C)C(=O)CCl)c(C)c1
InChIInChI=1S/C17H21ClN2O2/c1-11-5-6-15(12(2)7-11)9-20(17(21)8-18)10-16-13(3)19-22-14(16)4/h5-7H,8-10H2,1-4H3
InChIKeyXZXOMRWMTSUSEF-UHFFFAOYSA-N
XLogP3.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 46564680
3-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylanilino]propanoic acid
CID 82319513
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82140292
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
CID 28780736
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70779613
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide (CID 154880534) is 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide is Cc1ccc(CN(Cc2c(C)noc2C)C(=O)CCl)c(C)c1.
What is the InChIKey of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide?
The InChIKey is XZXOMRWMTSUSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11-5-6-15(12(2)7-11)9-20(17(21)8-18)10-16-13(3)19-22-14(16)4/h5-7H,8-10H2,1-4H3.
What are the key properties of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide?
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide has a molecular weight of 320.82 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 154880534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).