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

C11H20N2O — CID 65178650

IUPAC3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine
SMILESCCCC(C)c1cnc(CCCN)o1
InChIInChI=1S/C11H20N2O/c1-3-5-9(2)10-8-13-11(14-10)6-4-7-12/h8-9H,3-7,12H2,1-2H3
InChIKeyMPAKJYCYLAONRM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.47
Rot. Bonds6

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

3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine (PubChem CID 65178650) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine
PubChem CID65178650
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine
SMILESCCCC(C)c1cnc(CCCN)o1
InChIInChI=1S/C11H20N2O/c1-3-5-9(2)10-8-13-11(14-10)6-4-7-12/h8-9H,3-7,12H2,1-2H3
InChIKeyMPAKJYCYLAONRM-UHFFFAOYSA-N
XLogP2.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine (CID 65178650) is 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine is CCCC(C)c1cnc(CCCN)o1.
What is the InChIKey of 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is MPAKJYCYLAONRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-9(2)10-8-13-11(14-10)6-4-7-12/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine?
3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 65178650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).