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

C13H13BrN2O2 — CID 117493897

IUPAC3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)c(OC2CC2)c(-c2cc(N)on2)c1
InChIInChI=1S/C13H13BrN2O2/c1-7-4-9(11-6-12(15)18-16-11)13(10(14)5-7)17-8-2-3-8/h4-6,8H,2-3,15H2,1H3
InChIKeyXRSOIPALHMPMLG-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.54
Rot. Bonds3

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

3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117493897) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117493897
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)c(OC2CC2)c(-c2cc(N)on2)c1
InChIInChI=1S/C13H13BrN2O2/c1-7-4-9(11-6-12(15)18-16-11)13(10(14)5-7)17-8-2-3-8/h4-6,8H,2-3,15H2,1H3
InChIKeyXRSOIPALHMPMLG-UHFFFAOYSA-N
XLogP3.54
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117498027
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853
3-(3-bromo-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454864
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117325884

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117493897) is 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine is Cc1cc(Br)c(OC2CC2)c(-c2cc(N)on2)c1.
What is the InChIKey of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is XRSOIPALHMPMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-7-4-9(11-6-12(15)18-16-11)13(10(14)5-7)17-8-2-3-8/h4-6,8H,2-3,15H2,1H3.
What are the key properties of 3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 309.16 g/mol, XLogP of 3.54, 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-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117493897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).