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

C13H16N2O2 — CID 62015900

IUPAC[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1nc2ccccc2o1
InChIInChI=1S/C13H16N2O2/c16-9-10-4-3-7-15(10)8-13-14-11-5-1-2-6-12(11)17-13/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyZZNJQHFNFXSBJF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.78
Rot. Bonds3

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

[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 62015900) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID62015900
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1nc2ccccc2o1
InChIInChI=1S/C13H16N2O2/c16-9-10-4-3-7-15(10)8-13-14-11-5-1-2-6-12(11)17-13/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyZZNJQHFNFXSBJF-UHFFFAOYSA-N
XLogP1.78
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467617
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
1-[(2S)-2-[(2S)-1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315292
2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 95978858
2-[[2-(4-bromophenyl)pyrrolidin-1-yl]methyl]-1,3-benzoxazole
CID 55829416
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
CID 111111640
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
2-[[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-benzoxazole
CID 129334462
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 62015900) is [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1nc2ccccc2o1.
What is the InChIKey of [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is ZZNJQHFNFXSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-9-10-4-3-7-15(10)8-13-14-11-5-1-2-6-12(11)17-13/h1-2,5-6,10,16H,3-4,7-9H2.
What are the key properties of [1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 232.28 g/mol, XLogP of 1.78, 3 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-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62015900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).