3-piperidin-2-yl-1,2-oxazole

C8H12N2O — CID 57061053

IUPAC3-piperidin-2-yl-1,2-oxazole
SMILESc1cc(C2CCCCN2)no1
InChIInChI=1S/C8H12N2O/c1-2-5-9-7(3-1)8-4-6-11-10-8/h4,6-7,9H,1-3,5H2
InChIKeyVONVTBRFKVYEQK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.49
Rot. Bonds1

About 3-piperidin-2-yl-1,2-oxazole

3-piperidin-2-yl-1,2-oxazole (PubChem CID 57061053) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-piperidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-piperidin-2-yl-1,2-oxazole
PubChem CID57061053
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-piperidin-2-yl-1,2-oxazole
SMILESc1cc(C2CCCCN2)no1
InChIInChI=1S/C8H12N2O/c1-2-5-9-7(3-1)8-4-6-11-10-8/h4,6-7,9H,1-3,5H2
InChIKeyVONVTBRFKVYEQK-UHFFFAOYSA-N
XLogP1.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
CID 154577410
4-[(2R)-piperidin-2-yl]-1,3-oxazole;hydrochloride
CID 154574673
3-[(2S)-azepan-2-yl]-1,2,4-oxadiazole
CID 97184692
3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 46785750
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
CID 46785780
2-[3-[(2R)-piperidin-2-yl]-1,2-oxazol-5-yl]ethanol
CID 92615014
N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
2-(1-methylpyrazol-3-yl)azepane
CID 103729377
6-piperidin-2-yl-1H-pyrimidin-2-one
CID 83846397
3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914944

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-1,2-oxazole?
The IUPAC name of 3-piperidin-2-yl-1,2-oxazole (CID 57061053) is 3-piperidin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-piperidin-2-yl-1,2-oxazole?
The canonical SMILES for 3-piperidin-2-yl-1,2-oxazole is c1cc(C2CCCCN2)no1.
What is the InChIKey of 3-piperidin-2-yl-1,2-oxazole?
The InChIKey is VONVTBRFKVYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-5-9-7(3-1)8-4-6-11-10-8/h4,6-7,9H,1-3,5H2.
What are the key properties of 3-piperidin-2-yl-1,2-oxazole?
3-piperidin-2-yl-1,2-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-1,2-oxazole is sourced from PubChem (CID 57061053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).