N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

C20H15F3N2O3 — CID 67046910

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)C=Cc2ccccc2C(F)(F)F)ccc1-c1cnco1
InChIInChI=1S/C20H15F3N2O3/c1-27-17-10-14(7-8-15(17)18-11-24-12-28-18)25-19(26)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyGNBIWUIYTFUYBH-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.02
Rot. Bonds5

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 67046910) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID67046910
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)C=Cc2ccccc2C(F)(F)F)ccc1-c1cnco1
InChIInChI=1S/C20H15F3N2O3/c1-27-17-10-14(7-8-15(17)18-11-24-12-28-18)25-19(26)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyGNBIWUIYTFUYBH-UHFFFAOYSA-N
XLogP5.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.02
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]-3-pyridin-3-ylprop-2-enamide
CID 67046782
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 67047065
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
2-[3-(difluoromethoxy)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide;N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 90177419
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 76617229
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N'-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]oxamide
CID 25181996
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 67046910) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is COc1cc(NC(=O)C=Cc2ccccc2C(F)(F)F)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is GNBIWUIYTFUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-27-17-10-14(7-8-15(17)18-11-24-12-28-18)25-19(26)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-12H,1H3,(H,25,26).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 388.35 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 67046910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).