2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride

C7H11ClN2O — CID 146012688

IUPAC2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride
SMILESCl.c1coc(C2CCCN2)n1
InChIInChI=1S/C7H10N2O.ClH/c1-2-6(8-3-1)7-9-4-5-10-7;/h4-6,8H,1-3H2;1H
InChIKeyORTWNFIITLZSGF-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.52
Rot. Bonds1

About 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride

2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride (PubChem CID 146012688) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride
PubChem CID146012688
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride
SMILESCl.c1coc(C2CCCN2)n1
InChIInChI=1S/C7H10N2O.ClH/c1-2-6(8-3-1)7-9-4-5-10-7;/h4-6,8H,1-3H2;1H
InChIKeyORTWNFIITLZSGF-UHFFFAOYSA-N
XLogP1.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride (CID 146012688) is 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride is Cl.c1coc(C2CCCN2)n1.
What is the InChIKey of 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride?
The InChIKey is ORTWNFIITLZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-2-6(8-3-1)7-9-4-5-10-7;/h4-6,8H,1-3H2;1H.
What are the key properties of 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride?
2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 146012688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).