(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

C27H20N2O3 — CID 46500842

IUPAC(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1
InChIInChI=1S/C27H20N2O3/c1-18-10-13-25-23(16-18)29-27(32-25)20-8-5-9-21(17-20)28-26(30)15-12-22-11-14-24(31-22)19-6-3-2-4-7-19/h2-17H,1H3,(H,28,30)/b15-12+
InChIKeyUJAOLNKMOZJBRD-NTCAYCPXSA-N
MW420.47 g/mol
LogP6.72
Rot. Bonds5

About (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide (PubChem CID 46500842) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
PubChem CID46500842
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1
InChIInChI=1S/C27H20N2O3/c1-18-10-13-25-23(16-18)29-27(32-25)20-8-5-9-21(17-20)28-26(30)15-12-22-11-14-24(31-22)19-6-3-2-4-7-19/h2-17H,1H3,(H,28,30)/b15-12+
InChIKeyUJAOLNKMOZJBRD-NTCAYCPXSA-N
XLogP6.72
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 17116915
(E)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274506
(E)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17336319
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 17116925
(E)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17313409
(E)-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17117219
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 5032761
(E)-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274529
(E)-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 6159263
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 3927854
(E)-3-(4-chlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 2276241
(E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17117175

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide (CID 46500842) is (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide is Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1.
What is the InChIKey of (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The InChIKey is UJAOLNKMOZJBRD-NTCAYCPXSA-N. The full InChI is InChI=1S/C27H20N2O3/c1-18-10-13-25-23(16-18)29-27(32-25)20-8-5-9-21(17-20)28-26(30)15-12-22-11-14-24(31-22)19-6-3-2-4-7-19/h2-17H,1H3,(H,28,30)/b15-12+.
What are the key properties of (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
(E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide has a molecular weight of 420.47 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 46500842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).