3-cyclopropyl-1,2-benzoxazol-5-ol

C10H9NO2 — CID 105435987

IUPAC3-cyclopropyl-1,2-benzoxazol-5-ol
SMILESOc1ccc2onc(C3CC3)c2c1
InChIInChI=1S/C10H9NO2/c12-7-3-4-9-8(5-7)10(11-13-9)6-1-2-6/h3-6,12H,1-2H2
InChIKeyRREBSDQWGUATSN-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.41
Rot. Bonds1

About 3-cyclopropyl-1,2-benzoxazol-5-ol

3-cyclopropyl-1,2-benzoxazol-5-ol (PubChem CID 105435987) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-cyclopropyl-1,2-benzoxazol-5-ol.

Molecular Properties

Compound Name3-cyclopropyl-1,2-benzoxazol-5-ol
PubChem CID105435987
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-cyclopropyl-1,2-benzoxazol-5-ol
SMILESOc1ccc2onc(C3CC3)c2c1
InChIInChI=1S/C10H9NO2/c12-7-3-4-9-8(5-7)10(11-13-9)6-1-2-6/h3-6,12H,1-2H2
InChIKeyRREBSDQWGUATSN-UHFFFAOYSA-N
XLogP2.41
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-cyclopropyl-1,2-benzoxazole-5-carboxylate
CID 156503323
2-(3-cyclopropyl-1,2-benzoxazol-5-yl)propanoic acid
CID 105489080
5-chloro-3-piperidin-4-yl-1,2-benzoxazole
CID 21471782
3-(bromomethyl)-1,2-benzoxazol-5-ol
CID 119090322
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine
CID 105470013
tert-butyl 4-[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidine-1-carboxylate
CID 58817530
4-cyclopropyl-2,3-benzoxazin-1-one
CID 121219899
3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole
CID 154149101
4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
CID 58484940
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,2-benzoxazol-5-ol?
The IUPAC name of 3-cyclopropyl-1,2-benzoxazol-5-ol (CID 105435987) is 3-cyclopropyl-1,2-benzoxazol-5-ol.
What is the SMILES notation for 3-cyclopropyl-1,2-benzoxazol-5-ol?
The canonical SMILES for 3-cyclopropyl-1,2-benzoxazol-5-ol is Oc1ccc2onc(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-1,2-benzoxazol-5-ol?
The InChIKey is RREBSDQWGUATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-7-3-4-9-8(5-7)10(11-13-9)6-1-2-6/h3-6,12H,1-2H2.
What are the key properties of 3-cyclopropyl-1,2-benzoxazol-5-ol?
3-cyclopropyl-1,2-benzoxazol-5-ol has a molecular weight of 175.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,2-benzoxazol-5-ol is sourced from PubChem (CID 105435987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).