2-[(2R)-oxolan-2-yl]-1,3-benzoxazole

C11H11NO2 — CID 122232513

IUPAC2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
SMILESc1ccc2oc([C@H]3CCCO3)nc2c1
InChIInChI=1S/C11H11NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-2,4-5,10H,3,6-7H2/t10-/m1/s1
InChIKeyAJDIXSVEHLGXEP-SNVBAGLBSA-N
MW189.21 g/mol
LogP2.68
Rot. Bonds1

About 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole

2-[(2R)-oxolan-2-yl]-1,3-benzoxazole (PubChem CID 122232513) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
PubChem CID122232513
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
SMILESc1ccc2oc([C@H]3CCCO3)nc2c1
InChIInChI=1S/C11H11NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-2,4-5,10H,3,6-7H2/t10-/m1/s1
InChIKeyAJDIXSVEHLGXEP-SNVBAGLBSA-N
XLogP2.68
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357843
2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
CID 122234958
N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine
CID 82357724
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94123933
4-(3-methylbutyl)-2-(oxolan-2-yl)-1,3-benzoxazole
CID 54362320
2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole
CID 82346417
2-(3,4-dihydro-1,2-benzodioxin-3-yl)-1,3-benzoxazole
CID 174524376
2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole
CID 132604219
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
CID 116999923
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 94031409

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole (CID 122232513) is 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole is c1ccc2oc([C@H]3CCCO3)nc2c1.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole?
The InChIKey is AJDIXSVEHLGXEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-2,4-5,10H,3,6-7H2/t10-/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole?
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole has a molecular weight of 189.21 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 122232513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).