3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide

C18H16N2O3 — CID 110902173

IUPAC3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1nc2ccccc2o1)Nc1ccc(CCO)cc1
InChIInChI=1S/C18H16N2O3/c21-12-11-13-5-7-14(8-6-13)19-17(22)9-10-18-20-15-3-1-2-4-16(15)23-18/h1-10,21H,11-12H2,(H,19,22)
InChIKeyDCVHBYSEUYNXEF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds5

About 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide

3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide (PubChem CID 110902173) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide
PubChem CID110902173
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1nc2ccccc2o1)Nc1ccc(CCO)cc1
InChIInChI=1S/C18H16N2O3/c21-12-11-13-5-7-14(8-6-13)19-17(22)9-10-18-20-15-3-1-2-4-16(15)23-18/h1-10,21H,11-12H2,(H,19,22)
InChIKeyDCVHBYSEUYNXEF-UHFFFAOYSA-N
XLogP3.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide (CID 110902173) is 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide is O=C(C=Cc1nc2ccccc2o1)Nc1ccc(CCO)cc1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide?
The InChIKey is DCVHBYSEUYNXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-12-11-13-5-7-14(8-6-13)19-17(22)9-10-18-20-15-3-1-2-4-16(15)23-18/h1-10,21H,11-12H2,(H,19,22).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide?
3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 110902173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).