N-(1,2-oxazol-3-ylmethyl)pentan-3-amine

C9H16N2O — CID 79002535

IUPACN-(1,2-oxazol-3-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1ccon1
InChIInChI=1S/C9H16N2O/c1-3-8(4-2)10-7-9-5-6-12-11-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyLTOQUKLVBXXTIW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)pentan-3-amine

N-(1,2-oxazol-3-ylmethyl)pentan-3-amine (PubChem CID 79002535) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)pentan-3-amine
PubChem CID79002535
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1ccon1
InChIInChI=1S/C9H16N2O/c1-3-8(4-2)10-7-9-5-6-12-11-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyLTOQUKLVBXXTIW-UHFFFAOYSA-N
XLogP1.95
TPSA38.06 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)pentan-3-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)pentan-3-amine (CID 79002535) is N-(1,2-oxazol-3-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)pentan-3-amine is CCC(CC)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)pentan-3-amine?
The InChIKey is LTOQUKLVBXXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8(4-2)10-7-9-5-6-12-11-9/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)pentan-3-amine?
N-(1,2-oxazol-3-ylmethyl)pentan-3-amine has a molecular weight of 168.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)pentan-3-amine is sourced from PubChem (CID 79002535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).