5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole

C12H18N2O — CID 175787985

IUPAC5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole
SMILESc1cc(C2CCN(CC3CC3)CC2)on1
InChIInChI=1S/C12H18N2O/c1-2-10(1)9-14-7-4-11(5-8-14)12-3-6-13-15-12/h3,6,10-11H,1-2,4-5,7-9H2
InChIKeyGQONENZFVYRIQF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.26
Rot. Bonds3

About 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole

5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole (PubChem CID 175787985) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole
PubChem CID175787985
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole
SMILESc1cc(C2CCN(CC3CC3)CC2)on1
InChIInChI=1S/C12H18N2O/c1-2-10(1)9-14-7-4-11(5-8-14)12-3-6-13-15-12/h3,6,10-11H,1-2,4-5,7-9H2
InChIKeyGQONENZFVYRIQF-UHFFFAOYSA-N
XLogP2.26
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole 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 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole?
The IUPAC name of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole (CID 175787985) is 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole is c1cc(C2CCN(CC3CC3)CC2)on1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole?
The InChIKey is GQONENZFVYRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10(1)9-14-7-4-11(5-8-14)12-3-6-13-15-12/h3,6,10-11H,1-2,4-5,7-9H2.
What are the key properties of 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole?
5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 175787985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).