1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol

C11H12N2O3 — CID 106673452

IUPAC1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2nc3ccccc3o2)CC1O
InChIInChI=1S/C11H12N2O3/c14-8-5-13(6-9(8)15)11-12-7-3-1-2-4-10(7)16-11/h1-4,8-9,14-15H,5-6H2
InChIKeyZYYUTGVDNYBDSQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.37
Rot. Bonds1

About 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol

1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol (PubChem CID 106673452) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
PubChem CID106673452
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2nc3ccccc3o2)CC1O
InChIInChI=1S/C11H12N2O3/c14-8-5-13(6-9(8)15)11-12-7-3-1-2-4-10(7)16-11/h1-4,8-9,14-15H,5-6H2
InChIKeyZYYUTGVDNYBDSQ-UHFFFAOYSA-N
XLogP0.37
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4S)-1-(1,3-benzoxazol-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697273
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
1-(1,3-benzoxazol-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 54895616
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900944
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol (CID 106673452) is 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol is OC1CN(c2nc3ccccc3o2)CC1O.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol?
The InChIKey is ZYYUTGVDNYBDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-8-5-13(6-9(8)15)11-12-7-3-1-2-4-10(7)16-11/h1-4,8-9,14-15H,5-6H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol?
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol has a molecular weight of 220.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).