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

C22H15FN2O3 — CID 60557288

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C22H15FN2O3/c23-15-6-5-7-16(14-15)27-19-10-3-1-8-17(19)24-21(26)12-13-22-25-18-9-2-4-11-20(18)28-22/h1-14H,(H,24,26)/b13-12+
InChIKeyMBGQJVVXNFGCQT-OUKQBFOZSA-N
MW374.37 g/mol
LogP5.41
Rot. Bonds5

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

(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide (PubChem CID 60557288) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
PubChem CID60557288
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C22H15FN2O3/c23-15-6-5-7-16(14-15)27-19-10-3-1-8-17(19)24-21(26)12-13-22-25-18-9-2-4-11-20(18)28-22/h1-14H,(H,24,26)/b13-12+
InChIKeyMBGQJVVXNFGCQT-OUKQBFOZSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.41
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-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17413045
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 75910605
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 78801989
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 17417153
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26702969
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
[2-(3-fluorophenyl)-2-oxoethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 8677291
(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471728
(E)-3-(1,3-benzoxazol-2-yl)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 60578744
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-cyclopentylsulfanylphenyl)prop-2-enamide
CID 32559438
(E)-3-(1,3-benzoxazol-2-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)prop-2-enamide
CID 51247515
N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55982987

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide (CID 60557288) is (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1Oc1cccc(F)c1.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
The InChIKey is MBGQJVVXNFGCQT-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-15-6-5-7-16(14-15)27-19-10-3-1-8-17(19)24-21(26)12-13-22-25-18-9-2-4-11-20(18)28-22/h1-14H,(H,24,26)/b13-12+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide has a molecular weight of 374.37 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 60557288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).