[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol

C12H13NO3 — CID 82357843

IUPAC[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(C3CCCO3)nc2c1
InChIInChI=1S/C12H13NO3/c14-7-8-3-4-10-9(6-8)13-12(16-10)11-2-1-5-15-11/h3-4,6,11,14H,1-2,5,7H2
InChIKeyJCQOUTHNIDPCIH-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.17
Rot. Bonds2

About [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol

[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 82357843) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
PubChem CID82357843
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(C3CCCO3)nc2c1
InChIInChI=1S/C12H13NO3/c14-7-8-3-4-10-9(6-8)13-12(16-10)11-2-1-5-15-11/h3-4,6,11,14H,1-2,5,7H2
InChIKeyJCQOUTHNIDPCIH-UHFFFAOYSA-N
XLogP2.17
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine
CID 82357724
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
[3-(oxolan-2-yl)phenyl]methanol
CID 23506104
[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
CID 123620746
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
CID 114218201
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol (CID 82357843) is [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(C3CCCO3)nc2c1.
What is the InChIKey of [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is JCQOUTHNIDPCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-7-8-3-4-10-9(6-8)13-12(16-10)11-2-1-5-15-11/h3-4,6,11,14H,1-2,5,7H2.
What are the key properties of [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol?
[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 82357843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).