(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide

C18H13ClN2O2 — CID 56930627

IUPAC(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C18H13ClN2O2/c19-15-9-7-14(8-10-15)16-12-23-18(20-16)21-17(22)11-6-13-4-2-1-3-5-13/h1-12H,(H,20,21,22)/b11-6+
InChIKeyMGKVBGXXLGJRLG-IZZDOVSWSA-N
MW324.77 g/mol
LogP4.65
Rot. Bonds4

About (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide

(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 56930627) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
PubChem CID56930627
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C18H13ClN2O2/c19-15-9-7-14(8-10-15)16-12-23-18(20-16)21-17(22)11-6-13-4-2-1-3-5-13/h1-12H,(H,20,21,22)/b11-6+
InChIKeyMGKVBGXXLGJRLG-IZZDOVSWSA-N
XLogP4.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Chlorophenyl)-1,3-oxazol-2-amine
CID 12425131
Acetamide, N-(4-phenyl-2-oxazolyl)-
CID 37199
4-(2-Chlorophenyl)-1,3-oxazol-2-amine
CID 62065008
4-[[4-(4-Chlorophenyl)-1,3-oxazol-2-yl]amino]phenol
CID 127026207
N-Butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-YL]-2-methylpropanamide
CID 12556920
N-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]benzamide
CID 25257001
(E)-3-phenyl-N-(4-phenyl-1,3-oxazol-2-yl)prop-2-enamide
CID 56930625
(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
CID 56930626
N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
CID 56931178
4-[4-(Phenylmethyl)phenyl]-1,3-oxazol-2-amine
CID 163348709
N-(4-chlorophenyl)-4-(4-fluorophenyl)-1,3-oxazol-2-amine
CID 14923073
1-[4-(2-Chlorophenyl)-1,3-oxazol-2-yl]-3-pentan-3-ylurea
CID 86807496

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide (CID 56930627) is (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)co1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is MGKVBGXXLGJRLG-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-15-9-7-14(8-10-15)16-12-23-18(20-16)21-17(22)11-6-13-4-2-1-3-5-13/h1-12H,(H,20,21,22)/b11-6+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
(E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 324.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 56930627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).