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

C12H14N2O2 — CID 62371883

IUPAC[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C12H14N2O2/c15-8-9-5-6-14(7-9)12-13-10-3-1-2-4-11(10)16-12/h1-4,9,15H,5-8H2
InChIKeySEJUXEXNFRZDGV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.65
Rot. Bonds2

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

[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 62371883) 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-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
PubChem CID62371883
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C12H14N2O2/c15-8-9-5-6-14(7-9)12-13-10-3-1-2-4-11(10)16-12/h1-4,9,15H,5-8H2
InChIKeySEJUXEXNFRZDGV-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R,5S)-1-[[(3R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039660
tert-butyl N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71632456
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
N-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 62586348
2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
CID 146081262
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
[4-(aminomethyl)piperidin-1-yl]-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 119423816
2-[3-(hydroxymethyl)piperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116690760

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol (CID 62371883) is [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2nc3ccccc3o2)C1.
What is the InChIKey of [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is SEJUXEXNFRZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-8-9-5-6-14(7-9)12-13-10-3-1-2-4-11(10)16-12/h1-4,9,15H,5-8H2.
What are the key properties of [1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol?
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 218.26 g/mol, XLogP of 1.65, 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-3-yl]methanol is sourced from PubChem (CID 62371883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).