(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

C17H14N2O4 — CID 45377982

IUPAC(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc3ocnc23)cc1O
InChIInChI=1S/C17H14N2O4/c1-22-14-7-5-11(9-13(14)20)6-8-16(21)19-12-3-2-4-15-17(12)18-10-23-15/h2-10,20H,1H3,(H,19,21)/b8-6+
InChIKeyLCCYEABGYXFCIU-SOFGYWHQSA-N
MW310.31 g/mol
LogP3.19
Rot. Bonds4

About (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 45377982) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID45377982
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc3ocnc23)cc1O
InChIInChI=1S/C17H14N2O4/c1-22-14-7-5-11(9-13(14)20)6-8-16(21)19-12-3-2-4-15-17(12)18-10-23-15/h2-10,20H,1H3,(H,19,21)/b8-6+
InChIKeyLCCYEABGYXFCIU-SOFGYWHQSA-N
XLogP3.19
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 45377982) is (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc3ocnc23)cc1O.
What is the InChIKey of (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is LCCYEABGYXFCIU-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-14-7-5-11(9-13(14)20)6-8-16(21)19-12-3-2-4-15-17(12)18-10-23-15/h2-10,20H,1H3,(H,19,21)/b8-6+.
What are the key properties of (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 310.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 45377982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).