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

C7H11BrN2O — CID 105473442

IUPAC3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(Br)noc1N
InChIInChI=1S/C7H11BrN2O/c1-4(2)3-5-6(8)10-11-7(5)9/h4H,3,9H2,1-2H3
InChIKeyMLNYCBIGFTZHPL-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.22
Rot. Bonds2

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

3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 105473442) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID105473442
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(Br)noc1N
InChIInChI=1S/C7H11BrN2O/c1-4(2)3-5-6(8)10-11-7(5)9/h4H,3,9H2,1-2H3
InChIKeyMLNYCBIGFTZHPL-UHFFFAOYSA-N
XLogP2.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105473444
3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 106854761
3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 107982875
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 115354111
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
CID 135969050
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79217867
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
3-(1,1-dioxothian-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 113422169
3-(2-methoxy-3-pyridinyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 62875660
4-(2-methylpropyl)-3-pyrazolo[1,5-a]pyrazin-3-yl-1,2-oxazol-5-amine
CID 103119571
5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200466

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine (CID 105473442) is 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine is CC(C)Cc1c(Br)noc1N.
What is the InChIKey of 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is MLNYCBIGFTZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-4(2)3-5-6(8)10-11-7(5)9/h4H,3,9H2,1-2H3.
What are the key properties of 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine?
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 219.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 105473442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).