3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine

C7H12N2O — CID 18071348

IUPAC3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
SMILESCc1cc(CCCN)no1
InChIInChI=1S/C7H12N2O/c1-6-5-7(9-10-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKeyYMWVQCHYDUFURE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.87
Rot. Bonds3

About 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine

3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine (PubChem CID 18071348) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
PubChem CID18071348
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
SMILESCc1cc(CCCN)no1
InChIInChI=1S/C7H12N2O/c1-6-5-7(9-10-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKeyYMWVQCHYDUFURE-UHFFFAOYSA-N
XLogP0.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine (CID 18071348) is 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine is Cc1cc(CCCN)no1.
What is the InChIKey of 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine?
The InChIKey is YMWVQCHYDUFURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-5-7(9-10-6)3-2-4-8/h5H,2-4,8H2,1H3.
What are the key properties of 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine?
3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine is sourced from PubChem (CID 18071348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).