(E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide

C25H19BrN2O2 — CID 69287742

IUPAC(E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(Br)cc2)ccc1-c1cccc(-c2ncco2)c1
InChIInChI=1S/C25H19BrN2O2/c1-17-15-22(28-24(29)12-7-18-5-8-21(26)9-6-18)10-11-23(17)19-3-2-4-20(16-19)25-27-13-14-30-25/h2-16H,1H3,(H,28,29)/b12-7+
InChIKeyXVEHERYFMBTGOV-KPKJPENVSA-N
MW459.34 g/mol
LogP6.73
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide (PubChem CID 69287742) has the molecular formula C25H19BrN2O2 and a molecular weight of 459.34 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
PubChem CID69287742
Molecular FormulaC25H19BrN2O2
Molecular Weight459.34 g/mol
Exact Mass458.06
IUPAC Name(E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(Br)cc2)ccc1-c1cccc(-c2ncco2)c1
InChIInChI=1S/C25H19BrN2O2/c1-17-15-22(28-24(29)12-7-18-5-8-21(26)9-6-18)10-11-23(17)19-3-2-4-20(16-19)25-27-13-14-30-25/h2-16H,1H3,(H,28,29)/b12-7+
InChIKeyXVEHERYFMBTGOV-KPKJPENVSA-N
XLogP6.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
CID 69285195
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-4-(4-bromophenyl)-1-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]but-3-en-2-one
CID 161464911
(Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide
CID 69286218
(E)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24831270
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
(E)-3-(4-bromophenyl)-N-(3-ethynylphenyl)prop-2-enamide
CID 24676268
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
(E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
CID 24830945
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
(E)-N-(3-bromo-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552549

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide (CID 69287742) is (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccc(Br)cc2)ccc1-c1cccc(-c2ncco2)c1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?
The InChIKey is XVEHERYFMBTGOV-KPKJPENVSA-N. The full InChI is InChI=1S/C25H19BrN2O2/c1-17-15-22(28-24(29)12-7-18-5-8-21(26)9-6-18)10-11-23(17)19-3-2-4-20(16-19)25-27-13-14-30-25/h2-16H,1H3,(H,28,29)/b12-7+.
What are the key properties of (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?
(E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide has a molecular weight of 459.34 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[3-methyl-4-[3-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 69287742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).