(E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide

C20H18N2O2 — CID 177380559

IUPAC(E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C20H18N2O2/c1-22(2)18(23)14-13-17-21-19(15-9-5-3-6-10-15)20(24-17)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+
InChIKeyAMVTYDSURQDFOT-BUHFOSPRSA-N
MW318.38 g/mol
LogP4.11
Rot. Bonds4

About (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide

(E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide (PubChem CID 177380559) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide
PubChem CID177380559
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C20H18N2O2/c1-22(2)18(23)14-13-17-21-19(15-9-5-3-6-10-15)20(24-17)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+
InChIKeyAMVTYDSURQDFOT-BUHFOSPRSA-N
XLogP4.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Oxaprozin
CID 4614
Muraglitazar
CID 206044
OL-135
CID 10427006
Ditazole
CID 29088
Benzoxazole, 2-(phenylmethyl)-
CID 16179
2,5-Diphenyloxazole
CID 7105
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-Amino-4,5-diphenyloxazole
CID 188210
Acetamide, N-(4,5-diphenyl-2-oxazolyl)-
CID 37200
2-(2'-Methylphenyl)benzoxazole
CID 154899
2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide (CID 177380559) is (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is AMVTYDSURQDFOT-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22(2)18(23)14-13-17-21-19(15-9-5-3-6-10-15)20(24-17)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+.
What are the key properties of (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide?
(E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 318.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 177380559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).