2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride

C12H15ClN2O2 — CID 71636950

IUPAC2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
SMILESCl.c1ccc2oc(OCC3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O2.ClH/c1-2-6-11-10(5-1)14-12(16-11)15-8-9-4-3-7-13-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChIKeyJKINFQWQZDELMS-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.38
Rot. Bonds3

About 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride

2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride (PubChem CID 71636950) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
PubChem CID71636950
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
SMILESCl.c1ccc2oc(OCC3CCCN3)nc2c1
InChIInChI=1S/C12H14N2O2.ClH/c1-2-6-11-10(5-1)14-12(16-11)15-8-9-4-3-7-13-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChIKeyJKINFQWQZDELMS-UHFFFAOYSA-N
XLogP2.38
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-1,3-benzoxazole
CID 97177921
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
CID 71636674
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
N-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-benzoxazole-2-sulfonamide
CID 97166074
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-propoxy-1,3-benzoxazole
CID 23395170
N-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]quinoxalin-2-amine
CID 97164715
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride?
The IUPAC name of 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride (CID 71636950) is 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride?
The canonical SMILES for 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride is Cl.c1ccc2oc(OCC3CCCN3)nc2c1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride?
The InChIKey is JKINFQWQZDELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-2-6-11-10(5-1)14-12(16-11)15-8-9-4-3-7-13-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H.
What are the key properties of 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride?
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride is sourced from PubChem (CID 71636950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).