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

C22H15FN2O2 — CID 16581005

IUPAC(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H15FN2O2/c23-18-6-2-1-5-15(18)11-14-21(26)24-17-12-9-16(10-13-17)22-25-19-7-3-4-8-20(19)27-22/h1-14H,(H,24,26)/b14-11+
InChIKeyZBAQJGXGMRVXGV-SDNWHVSQSA-N
MW358.37 g/mol
LogP5.29
Rot. Bonds4

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

(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 16581005) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
PubChem CID16581005
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H15FN2O2/c23-18-6-2-1-5-15(18)11-14-21(26)24-17-12-9-16(10-13-17)22-25-19-7-3-4-8-20(19)27-22/h1-14H,(H,24,26)/b14-11+
InChIKeyZBAQJGXGMRVXGV-SDNWHVSQSA-N
XLogP5.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 16580996
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24599414
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471728
(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 24599431

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide (CID 16581005) is (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is ZBAQJGXGMRVXGV-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-18-6-2-1-5-15(18)11-14-21(26)24-17-12-9-16(10-13-17)22-25-19-7-3-4-8-20(19)27-22/h1-14H,(H,24,26)/b14-11+.
What are the key properties of (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 358.37 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 16581005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).