3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine

C9H14N2O — CID 130791941

IUPAC3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(CCC2CC2)noc1N
InChIInChI=1S/C9H14N2O/c1-6-8(11-12-9(6)10)5-4-7-2-3-7/h7H,2-5,10H2,1H3
InChIKeyAKFWQOOEDWZDNQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds3

About 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine

3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine (PubChem CID 130791941) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine
PubChem CID130791941
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(CCC2CC2)noc1N
InChIInChI=1S/C9H14N2O/c1-6-8(11-12-9(6)10)5-4-7-2-3-7/h7H,2-5,10H2,1H3
InChIKeyAKFWQOOEDWZDNQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine (CID 130791941) is 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine is Cc1c(CCC2CC2)noc1N.
What is the InChIKey of 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine?
The InChIKey is AKFWQOOEDWZDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-8(11-12-9(6)10)5-4-7-2-3-7/h7H,2-5,10H2,1H3.
What are the key properties of 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine?
3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine has a molecular weight of 166.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 130791941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).