2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol

C10H15NO2 — CID 115066260

IUPAC2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
SMILESOC1CCC2N=C(C3CC3)OC2C1
InChIInChI=1S/C10H15NO2/c12-7-3-4-8-9(5-7)13-10(11-8)6-1-2-6/h6-9,12H,1-5H2
InChIKeyYEXVPZMOFHFEDK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.11
Rot. Bonds1

About 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol

2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol (PubChem CID 115066260) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
PubChem CID115066260
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
SMILESOC1CCC2N=C(C3CC3)OC2C1
InChIInChI=1S/C10H15NO2/c12-7-3-4-8-9(5-7)13-10(11-8)6-1-2-6/h6-9,12H,1-5H2
InChIKeyYEXVPZMOFHFEDK-UHFFFAOYSA-N
XLogP1.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
CID 115066338
(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256
2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
CID 115066395
2-[6-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]-3a,4,4a,7a,8,8a-hexahydro-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl]-5-(6-methyl-3a,4,4a,7a,8,8a-hexahydro-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)cyclohexane-1,4-diol
CID 140551904
(1R,3R,8S)-9-oxabicyclo[6.1.0]nonan-3-ol
CID 100917499
3-(4-cyclobutylphenyl)cyclopentan-1-ol
CID 116506811
3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 64516023
(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride
CID 70346942
2-[(4-bromophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-ol
CID 115065951
4-chloro-2-cyclopropyl-6-fluoro-7-methylidene-4,5,6,7a-tetrahydro-3aH-1,3-benzoxazole
CID 90701663
3-methylcyclopentan-1-ol;2-methyl-4,5-dihydro-1,3-oxazol-4-ol
CID 67930742
7-hydroxy-2-(4-hydroxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 140633955

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
The IUPAC name of 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol (CID 115066260) is 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol is OC1CCC2N=C(C3CC3)OC2C1.
What is the InChIKey of 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
The InChIKey is YEXVPZMOFHFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-7-3-4-8-9(5-7)13-10(11-8)6-1-2-6/h6-9,12H,1-5H2.
What are the key properties of 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol has a molecular weight of 181.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol is sourced from PubChem (CID 115066260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).