3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine

C12H10BrFN2O2 — CID 117498027

IUPAC3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc(F)cc(Br)c2OC2CC2)no1
InChIInChI=1S/C12H10BrFN2O2/c13-9-4-6(14)3-8(10-5-11(15)18-16-10)12(9)17-7-1-2-7/h3-5,7H,1-2,15H2
InChIKeyGZJPMGJGNVMACP-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.37
Rot. Bonds3

About 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine

3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 117498027) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID117498027
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc(F)cc(Br)c2OC2CC2)no1
InChIInChI=1S/C12H10BrFN2O2/c13-9-4-6(14)3-8(10-5-11(15)18-16-10)12(9)17-7-1-2-7/h3-5,7H,1-2,15H2
InChIKeyGZJPMGJGNVMACP-UHFFFAOYSA-N
XLogP3.37
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]-4-fluorobutanenitrile
CID 155413464
2-[4-Bromo-2-(1,2-oxazol-3-yl)phenoxy]-4-fluorobutanenitrile
CID 155413466
(2S)-2-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]-4-fluorobutanamide
CID 155414249
2-[4-Bromo-2-(1,2-oxazol-3-yl)phenoxy]-4-fluorobutanamide
CID 155414251
(3S)-3-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]-5-fluoropentan-2-imine
CID 155744369
3-[5-bromo-2-[(2R)-4-fluorobutan-2-yl]oxyphenyl]-1,2-oxazole
CID 170375013
3-(3-Bromo-5-fluoro-2-methoxyphenyl)-5-methyl-1,2-oxazole
CID 170557726
3-(2-Ethoxyphenyl)-1,2-oxazol-5-amine
CID 4267526
3-(5-Fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 3551194
3-(5-Fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3776332
3-(2-Ethoxy-5-fluorophenyl)-1,2-oxazol-5-amine
CID 4329495
3-[2-(Difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603396

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine (CID 117498027) is 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2cc(F)cc(Br)c2OC2CC2)no1.
What is the InChIKey of 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is GZJPMGJGNVMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c13-9-4-6(14)3-8(10-5-11(15)18-16-10)12(9)17-7-1-2-7/h3-5,7H,1-2,15H2.
What are the key properties of 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine?
3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 313.13 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117498027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).