(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide

C15H15BrN2O2 — CID 86822395

IUPAC(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
SMILESCc1nc(CNC(=O)/C=C/c2ccccc2Br)oc1C
InChIInChI=1S/C15H15BrN2O2/c1-10-11(2)20-15(18-10)9-17-14(19)8-7-12-5-3-4-6-13(12)16/h3-8H,9H2,1-2H3,(H,17,19)/b8-7+
InChIKeyPYYPUTLRWUYODM-BQYQJAHWSA-N
MW335.20 g/mol
LogP3.38
Rot. Bonds4

About (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide

(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide (PubChem CID 86822395) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
PubChem CID86822395
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
SMILESCc1nc(CNC(=O)/C=C/c2ccccc2Br)oc1C
InChIInChI=1S/C15H15BrN2O2/c1-10-11(2)20-15(18-10)9-17-14(19)8-7-12-5-3-4-6-13(12)16/h3-8H,9H2,1-2H3,(H,17,19)/b8-7+
InChIKeyPYYPUTLRWUYODM-BQYQJAHWSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide 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

4-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-oxoprop-1-enyl]benzoic acid
CID 91941415
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 86822381
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60565625

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide (CID 86822395) is (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide is Cc1nc(CNC(=O)/C=C/c2ccccc2Br)oc1C.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide?
The InChIKey is PYYPUTLRWUYODM-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-11(2)20-15(18-10)9-17-14(19)8-7-12-5-3-4-6-13(12)16/h3-8H,9H2,1-2H3,(H,17,19)/b8-7+.
What are the key properties of (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide?
(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide has a molecular weight of 335.20 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 86822395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).