1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride

C9H13ClN2O2 — CID 68771759

IUPAC1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1ncco1)C1CCNCC1
InChIInChI=1S/C9H12N2O2.ClH/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7;/h5-7,10H,1-4H2;1H
InChIKeyCVNCLCKBLWGXEV-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.28
Rot. Bonds2

About 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride

1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride (PubChem CID 68771759) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride
PubChem CID68771759
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1ncco1)C1CCNCC1
InChIInChI=1S/C9H12N2O2.ClH/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7;/h5-7,10H,1-4H2;1H
InChIKeyCVNCLCKBLWGXEV-UHFFFAOYSA-N
XLogP1.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride?
The IUPAC name of 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride (CID 68771759) is 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride is Cl.O=C(c1ncco1)C1CCNCC1.
What is the InChIKey of 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride?
The InChIKey is CVNCLCKBLWGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7;/h5-7,10H,1-4H2;1H.
What are the key properties of 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride?
1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl(piperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 68771759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).