N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine

C13H23N3O — CID 55259121

IUPACN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)14-9-12-4-7-16(8-5-12)10-13-3-6-15-17-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3
InChIKeyKGQRFZZXTTVILX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.88
Rot. Bonds5

About N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 55259121) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID55259121
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)14-9-12-4-7-16(8-5-12)10-13-3-6-15-17-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3
InChIKeyKGQRFZZXTTVILX-UHFFFAOYSA-N
XLogP1.88
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine (CID 55259121) is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(Cc2ccno2)CC1.
What is the InChIKey of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is KGQRFZZXTTVILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)14-9-12-4-7-16(8-5-12)10-13-3-6-15-17-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3.
What are the key properties of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55259121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).