4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole

C13H10BrF2NO — CID 155223675

IUPAC4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
SMILESFc1cccc(F)c1-c1noc(C2CC2)c1CBr
InChIInChI=1S/C13H10BrF2NO/c14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16/h1-3,7H,4-6H2
InChIKeyRKWCMNAAVYZUCR-UHFFFAOYSA-N
MW314.13 g/mol
LogP4.39
Rot. Bonds3

About 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole

4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole (PubChem CID 155223675) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
PubChem CID155223675
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
SMILESFc1cccc(F)c1-c1noc(C2CC2)c1CBr
InChIInChI=1S/C13H10BrF2NO/c14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16/h1-3,7H,4-6H2
InChIKeyRKWCMNAAVYZUCR-UHFFFAOYSA-N
XLogP4.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole 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

5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole
CID 134400414
4-(bromomethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetonitrile
CID 164985547
5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 134284360
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole
CID 146244928
tert-butyl (1R,5S)-3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 174228769
5-cyclopropyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole
CID 141180501
5-[4-(bromomethyl)-5-cyclopropyl-1,2-oxazol-3-yl]-4,6-dichloro-1H-pyridin-2-one
CID 135894584
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
4-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorobenzoic acid
CID 67985241
[5-cyclopropyl-3-(2-cyclopropyl-6-fluorophenyl)-1,2-oxazol-4-yl]methanol;ethyl 3-(2-bromo-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;ethyl 5-cyclopropyl-3-(2-cyclopropyl-6-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 162054652
4-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorobenzonitrile
CID 155223678
1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-ol
CID 155401373

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole?
The IUPAC name of 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole (CID 155223675) is 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole is Fc1cccc(F)c1-c1noc(C2CC2)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole?
The InChIKey is RKWCMNAAVYZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16/h1-3,7H,4-6H2.
What are the key properties of 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole?
4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole has a molecular weight of 314.13 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole is sourced from PubChem (CID 155223675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).