5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine

C14H17BrN2O — CID 117493981

IUPAC5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
SMILESCCC(CC)c1ccc(-c2cc(N)no2)cc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-9(4-2)11-6-5-10(7-12(11)15)13-8-14(16)17-18-13/h5-9H,3-4H2,1-2H3,(H2,16,17)
InChIKeyUVLSUVNAJFTNNU-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.59
Rot. Bonds4

About 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine

5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 117493981) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
PubChem CID117493981
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
SMILESCCC(CC)c1ccc(-c2cc(N)no2)cc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-9(4-2)11-6-5-10(7-12(11)15)13-8-14(16)17-18-13/h5-9H,3-4H2,1-2H3,(H2,16,17)
InChIKeyUVLSUVNAJFTNNU-UHFFFAOYSA-N
XLogP4.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117332870
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
CID 82472660
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117439355
3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
CID 117373692
5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
CID 117420990
4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
CID 136968513

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine (CID 117493981) is 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine is CCC(CC)c1ccc(-c2cc(N)no2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is UVLSUVNAJFTNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-9(4-2)11-6-5-10(7-12(11)15)13-8-14(16)17-18-13/h5-9H,3-4H2,1-2H3,(H2,16,17).
What are the key properties of 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine?
5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 309.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117493981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).