3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine

C9H16N2O — CID 105422700

IUPAC3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
SMILESCCCc1conc1CCCN
InChIInChI=1S/C9H16N2O/c1-2-4-8-7-12-11-9(8)5-3-6-10/h7H,2-6,10H2,1H3
InChIKeyQQWKNGFEHRRPKP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds5

About 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine

3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine (PubChem CID 105422700) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
PubChem CID105422700
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
SMILESCCCc1conc1CCCN
InChIInChI=1S/C9H16N2O/c1-2-4-8-7-12-11-9(8)5-3-6-10/h7H,2-6,10H2,1H3
InChIKeyQQWKNGFEHRRPKP-UHFFFAOYSA-N
XLogP1.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine?
The IUPAC name of 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine (CID 105422700) is 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine is CCCc1conc1CCCN.
What is the InChIKey of 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine?
The InChIKey is QQWKNGFEHRRPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-4-8-7-12-11-9(8)5-3-6-10/h7H,2-6,10H2,1H3.
What are the key properties of 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine?
3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine is sourced from PubChem (CID 105422700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).