[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol

C12H14N2O2 — CID 22220871

IUPAC[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c15-8-9-4-3-7-14(9)12-13-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,15H,3-4,7-8H2
InChIKeyJQIFTSYHCMTUAV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.79
Rot. Bonds2

About [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol

[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 22220871) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
PubChem CID22220871
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c15-8-9-4-3-7-14(9)12-13-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,15H,3-4,7-8H2
InChIKeyJQIFTSYHCMTUAV-UHFFFAOYSA-N
XLogP1.79
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63759489
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl formate
CID 23397359
2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-benzoxazole
CID 112748225
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
methyl 2-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methylsulfamoyl]acetate
CID 90619298
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95343281
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95289224
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-ethoxyacetamide
CID 90618857
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-sulfamoylbenzamide
CID 90619044
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-methylbenzamide
CID 90619120

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol (CID 22220871) is [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc2ccccc2o1.
What is the InChIKey of [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is JQIFTSYHCMTUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-8-9-4-3-7-14(9)12-13-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,15H,3-4,7-8H2.
What are the key properties of [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol?
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 218.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 22220871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).