3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine

C11H18N2O2 — CID 65178712

IUPAC3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(C2CCCOC2)o1
InChIInChI=1S/C11H18N2O2/c12-5-1-4-11-13-7-10(15-11)9-3-2-6-14-8-9/h7,9H,1-6,8,12H2
InChIKeyFKILUMXMIQINEK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.46
Rot. Bonds4

About 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178712) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178712
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(C2CCCOC2)o1
InChIInChI=1S/C11H18N2O2/c12-5-1-4-11-13-7-10(15-11)9-3-2-6-14-8-9/h7,9H,1-6,8,12H2
InChIKeyFKILUMXMIQINEK-UHFFFAOYSA-N
XLogP1.46
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4,5-Trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178594
3-(5-Cyclopentyl-1,3-oxazol-2-yl)propan-1-amine
CID 65178595
3-[5-(Cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178606
3-(5-Pentan-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65178650
[5-(Oxan-3-yl)-1,3-oxazol-2-yl]methanamine
CID 65178787
N-methyl-1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]methanamine
CID 65178835
1-[5-(Oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65178910
3-[5-(2-Methylcyclopropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178923
3-(5-Cyclobutyl-1,3-oxazol-2-yl)propan-1-amine
CID 65178928
2-[5-(Oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179025
3-[5-(3-Methylbutyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179085
N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine
CID 65179092

Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178712) is 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(C2CCCOC2)o1.
What is the InChIKey of 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is FKILUMXMIQINEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-5-1-4-11-13-7-10(15-11)9-3-2-6-14-8-9/h7,9H,1-6,8,12H2.
What are the key properties of 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-3-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).