(E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one

C25H19NO3 — CID 155535109

IUPAC(E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C25H19NO3/c27-25(16-11-19-7-3-1-4-8-19)21-12-14-22(15-13-21)28-18-23-17-24(26-29-23)20-9-5-2-6-10-20/h1-17H,18H2/b16-11+
InChIKeyMKECMRHSORMPCI-LFIBNONCSA-N
MW381.43 g/mol
LogP5.82
Rot. Bonds7

About (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one

(E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one (PubChem CID 155535109) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one
PubChem CID155535109
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name(E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C25H19NO3/c27-25(16-11-19-7-3-1-4-8-19)21-12-14-22(15-13-21)28-18-23-17-24(26-29-23)20-9-5-2-6-10-20/h1-17H,18H2/b16-11+
InChIKeyMKECMRHSORMPCI-LFIBNONCSA-N
XLogP5.82
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
5-[(4-Fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480817
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
5-Ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320917
5-(Fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320918
3-(4-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole
CID 1480805
3-(4-Chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole
CID 1480824
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2442775
5-(4-Butoxy-phenyl)-3-methyl-isoxazole
CID 11253245
5-[3-[2,6-Dimethyl-4-(4-phenylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole
CID 44427662
2-[2,6-Dimethyl-4-[(5-phenyl-1,2-oxazol-3-yl)methyl]phenoxy]-2-methylpropanoic acid
CID 155540131
5-[(3-Isothiocyanatocyclobutyl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 164624578

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one (CID 155535109) is (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
The InChIKey is MKECMRHSORMPCI-LFIBNONCSA-N. The full InChI is InChI=1S/C25H19NO3/c27-25(16-11-19-7-3-1-4-8-19)21-12-14-22(15-13-21)28-18-23-17-24(26-29-23)20-9-5-2-6-10-20/h1-17H,18H2/b16-11+.
What are the key properties of (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
(E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one has a molecular weight of 381.43 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 155535109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).