2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide

C19H17ClN2O2 — CID 177380562

IUPAC2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1
InChIInChI=1S/C19H17ClN2O2/c1-22(2)17(23)12-16-21-18(13-8-4-3-5-9-13)19(24-16)14-10-6-7-11-15(14)20/h3-11H,12H2,1-2H3
InChIKeyWVFRRUVTGFBQIP-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.29
Rot. Bonds4

About 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide

2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide (PubChem CID 177380562) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide
PubChem CID177380562
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1
InChIInChI=1S/C19H17ClN2O2/c1-22(2)17(23)12-16-21-18(13-8-4-3-5-9-13)19(24-16)14-10-6-7-11-15(14)20/h3-11H,12H2,1-2H3
InChIKeyWVFRRUVTGFBQIP-UHFFFAOYSA-N
XLogP4.29
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 87974449
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
2-[[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 54479125
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284
2-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505648
3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
CID 3976740
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
2-[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetic acid
CID 152780841
7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid
CID 123292841
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide (CID 177380562) is 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is WVFRRUVTGFBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-22(2)17(23)12-16-21-18(13-8-4-3-5-9-13)19(24-16)14-10-6-7-11-15(14)20/h3-11H,12H2,1-2H3.
What are the key properties of 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide?
2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 340.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 177380562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).