1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol

C13H13NO2 — CID 117306724

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C13H13NO2/c15-13(5-6-13)9-3-4-11-10(7-9)14-12(16-11)8-1-2-8/h3-4,7-8,15H,1-2,5-6H2
InChIKeyFZOXMVDIKLCNSF-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.69
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol (PubChem CID 117306724) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
PubChem CID117306724
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3oc(C4CC4)nc3c2)CC1
InChIInChI=1S/C13H13NO2/c15-13(5-6-13)9-3-4-11-10(7-9)14-12(16-11)8-1-2-8/h3-4,7-8,15H,1-2,5-6H2
InChIKeyFZOXMVDIKLCNSF-UHFFFAOYSA-N
XLogP2.69
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
CID 82230661
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-cyclobutyl-5-ethynyl-1,3-benzoxazole
CID 166973318
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol (CID 117306724) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol is OC1(c2ccc3oc(C4CC4)nc3c2)CC1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol?
The InChIKey is FZOXMVDIKLCNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(5-6-13)9-3-4-11-10(7-9)14-12(16-11)8-1-2-8/h3-4,7-8,15H,1-2,5-6H2.
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol has a molecular weight of 215.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117306724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).