(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide

C24H20N2O3 — CID 1364163

IUPAC(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide
SMILESCc1cc2nc(-c3cc(NC(=O)/C=C/c4ccccc4)ccc3O)oc2cc1C
InChIInChI=1S/C24H20N2O3/c1-15-12-20-22(13-16(15)2)29-24(26-20)19-14-18(9-10-21(19)27)25-23(28)11-8-17-6-4-3-5-7-17/h3-14,27H,1-2H3,(H,25,28)/b11-8+
InChIKeyVRZVJORBAUZXOY-DHZHZOJOSA-N
MW384.44 g/mol
LogP5.47
Rot. Bonds4

About (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide

(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide (PubChem CID 1364163) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide
PubChem CID1364163
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide
SMILESCc1cc2nc(-c3cc(NC(=O)/C=C/c4ccccc4)ccc3O)oc2cc1C
InChIInChI=1S/C24H20N2O3/c1-15-12-20-22(13-16(15)2)29-24(26-20)19-14-18(9-10-21(19)27)25-23(28)11-8-17-6-4-3-5-7-17/h3-14,27H,1-2H3,(H,25,28)/b11-8+
InChIKeyVRZVJORBAUZXOY-DHZHZOJOSA-N
XLogP5.47
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-2-carboxamide
CID 135681250
(E)-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 135718113
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 3557316
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 3127993
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1322841
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3125081
(E)-3-(4-chloro-3-nitrophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 2295909
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1-benzofuran-2-carboxamide
CID 135579943
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1397296
(E)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 5346255

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide (CID 1364163) is (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide is Cc1cc2nc(-c3cc(NC(=O)/C=C/c4ccccc4)ccc3O)oc2cc1C.
What is the InChIKey of (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide?
The InChIKey is VRZVJORBAUZXOY-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-15-12-20-22(13-16(15)2)29-24(26-20)19-14-18(9-10-21(19)27)25-23(28)11-8-17-6-4-3-5-7-17/h3-14,27H,1-2H3,(H,25,28)/b11-8+.
What are the key properties of (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide?
(E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1364163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).