(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide

C23H17ClN2O2 — CID 2276241

IUPAC(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1
InChIInChI=1S/C23H17ClN2O2/c1-15-5-11-20-21(13-15)28-23(26-20)17-3-2-4-19(14-17)25-22(27)12-8-16-6-9-18(24)10-7-16/h2-14H,1H3,(H,25,27)/b12-8+
InChIKeyWSQCRTDILHXXIX-XYOKQWHBSA-N
MW388.85 g/mol
LogP6.11
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide (PubChem CID 2276241) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
PubChem CID2276241
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1
InChIInChI=1S/C23H17ClN2O2/c1-15-5-11-20-21(13-15)28-23(26-20)17-3-2-4-19(14-17)25-22(27)12-8-16-6-9-18(24)10-7-16/h2-14H,1H3,(H,25,27)/b12-8+
InChIKeyWSQCRTDILHXXIX-XYOKQWHBSA-N
XLogP6.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.11
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

3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 17116915
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4567482
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 46500842
3,6-dichloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 5173058
2-chloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740413
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
3-(2,4-dichlorophenyl)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 3312765
5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17110645
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide (CID 2276241) is (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide is Cc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is WSQCRTDILHXXIX-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-15-5-11-20-21(13-15)28-23(26-20)17-3-2-4-19(14-17)25-22(27)12-8-16-6-9-18(24)10-7-16/h2-14H,1H3,(H,25,27)/b12-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 388.85 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 2276241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).