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

C15H20N2O2 — CID 62467617

IUPAC3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c18-10-4-6-12-5-3-9-17(12)11-15-16-13-7-1-2-8-14(13)19-15/h1-2,7-8,12,18H,3-6,9-11H2
InChIKeyBQWZSJPPCZTKNV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds5

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

3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467617) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62467617
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c18-10-4-6-12-5-3-9-17(12)11-15-16-13-7-1-2-8-14(13)19-15/h1-2,7-8,12,18H,3-6,9-11H2
InChIKeyBQWZSJPPCZTKNV-UHFFFAOYSA-N
XLogP2.56
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
CID 111111640
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
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
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076080
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol (CID 62467617) is 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1nc2ccccc2o1.
What is the InChIKey of 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BQWZSJPPCZTKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-4-6-12-5-3-9-17(12)11-15-16-13-7-1-2-8-14(13)19-15/h1-2,7-8,12,18H,3-6,9-11H2.
What are the key properties of 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).