(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide

C13H9N3O3 — CID 82110838

IUPAC(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide
SMILESN#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccon1
InChIInChI=1S/C13H9N3O3/c14-8-10(6-9-2-1-3-11(17)7-9)13(18)15-12-4-5-19-16-12/h1-7,17H,(H,15,16,18)/b10-6+
InChIKeyHVYNMVRPIFLXEB-UXBLZVDNSA-N
MW255.23 g/mol
LogP1.93
Rot. Bonds3

About (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide

(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide (PubChem CID 82110838) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide
PubChem CID82110838
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide
SMILESN#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccon1
InChIInChI=1S/C13H9N3O3/c14-8-10(6-9-2-1-3-11(17)7-9)13(18)15-12-4-5-19-16-12/h1-7,17H,(H,15,16,18)/b10-6+
InChIKeyHVYNMVRPIFLXEB-UXBLZVDNSA-N
XLogP1.93
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 2883454
2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 2874931
(E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 877231
(E)-2-cyano-N-[5-[[(E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoyl]amino]pentyl]-3-(3-hydroxyphenyl)prop-2-enamide
CID 11362775
(E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 11472104
(E)-2-cyano-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 82108739
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 82109222
ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
CID 733994
(E)-2-cyano-3-(3-hydroxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 768200
(E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 52899635
2-cyano-3-(3-hydroxyphenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 3453433
2-cyano-3-[4-(diethylamino)phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
CID 4575288

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide (CID 82110838) is (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide is N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccon1.
What is the InChIKey of (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide?
The InChIKey is HVYNMVRPIFLXEB-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H9N3O3/c14-8-10(6-9-2-1-3-11(17)7-9)13(18)15-12-4-5-19-16-12/h1-7,17H,(H,15,16,18)/b10-6+.
What are the key properties of (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide?
(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide has a molecular weight of 255.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide is sourced from PubChem (CID 82110838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).