(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide

C19H15FN2O3 — CID 67047395

IUPAC(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C(F)=C\c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C19H15FN2O3/c1-24-17-10-14(7-8-15(17)18-11-21-12-25-18)22-19(23)16(20)9-13-5-3-2-4-6-13/h2-12H,1H3,(H,22,23)/b16-9+
InChIKeyPIWXFYWFGTVQTF-CXUHLZMHSA-N
MW338.34 g/mol
LogP4.30
Rot. Bonds5

About (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide

(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 67047395) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID67047395
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C(F)=C\c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C19H15FN2O3/c1-24-17-10-14(7-8-15(17)18-11-21-12-25-18)22-19(23)16(20)9-13-5-3-2-4-6-13/h2-12H,1H3,(H,22,23)/b16-9+
InChIKeyPIWXFYWFGTVQTF-CXUHLZMHSA-N
XLogP4.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.30
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

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
N'-[3-(aminomethyl)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide;2,2,2-trifluoroacetic acid
CID 22558403
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 67046910
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(naphthalene-1-carbonylamino)propan-2-yl]oxamide
CID 20766557
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide (CID 67047395) is (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide is COc1cc(NC(=O)/C(F)=C\c2ccccc2)ccc1-c1cnco1.
What is the InChIKey of (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is PIWXFYWFGTVQTF-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-24-17-10-14(7-8-15(17)18-11-21-12-25-18)22-19(23)16(20)9-13-5-3-2-4-6-13/h2-12H,1H3,(H,22,23)/b16-9+.
What are the key properties of (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide?
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 338.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 67047395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).