3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

C14H17BrN2O — CID 107982875

IUPAC3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2noc(N)c2CC(C)C)c1Br
InChIInChI=1S/C14H17BrN2O/c1-8(2)7-11-13(17-18-14(11)16)10-6-4-5-9(3)12(10)15/h4-6,8H,7,16H2,1-3H3
InChIKeyBYOWGZBOZJTYJN-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.19
Rot. Bonds3

About 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 107982875) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID107982875
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2noc(N)c2CC(C)C)c1Br
InChIInChI=1S/C14H17BrN2O/c1-8(2)7-11-13(17-18-14(11)16)10-6-4-5-9(3)12(10)15/h4-6,8H,7,16H2,1-3H3
InChIKeyBYOWGZBOZJTYJN-UHFFFAOYSA-N
XLogP4.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 106854761
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79217867
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
3-(2-methoxy-3-pyridinyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 62875660
3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 107982868
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 105473442
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 115354111
4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
CID 135969050
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
4-(2-methylpropyl)-3-pyrazolo[1,5-a]pyrazin-3-yl-1,2-oxazol-5-amine
CID 103119571

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (CID 107982875) is 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is Cc1cccc(-c2noc(N)c2CC(C)C)c1Br.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is BYOWGZBOZJTYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-8(2)7-11-13(17-18-14(11)16)10-6-4-5-9(3)12(10)15/h4-6,8H,7,16H2,1-3H3.
What are the key properties of 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 309.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107982875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).