6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one

C16H21NO3 — CID 61089171

IUPAC6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CCC3CCCCC3)cc2o1
InChIInChI=1S/C16H21NO3/c18-14(9-6-11-4-2-1-3-5-11)12-7-8-13-15(10-12)20-16(19)17-13/h7-8,10-11,14,18H,1-6,9H2,(H,17,19)
InChIKeyIJEDOELSAYOUPP-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.52
Rot. Bonds4

About 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one

6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one (PubChem CID 61089171) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
PubChem CID61089171
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CCC3CCCCC3)cc2o1
InChIInChI=1S/C16H21NO3/c18-14(9-6-11-4-2-1-3-5-11)12-7-8-13-15(10-12)20-16(19)17-13/h7-8,10-11,14,18H,1-6,9H2,(H,17,19)
InChIKeyIJEDOELSAYOUPP-UHFFFAOYSA-N
XLogP3.52
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-bromo-3-cyclohexylpropyl)-3H-1,3-benzoxazol-2-one
CID 63441549
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid
CID 43322377
3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 61087676
3-cyclohexyl-1-naphthalen-2-ylpropan-1-ol
CID 115792765
6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
CID 63047192
5-(1-hydroxy-3-sulfanylpropyl)-3H-1,3-benzoxazol-2-one
CID 116831038
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
6-[chloro(oxan-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 62214454
6-(1-bromo-2,2-dicyclopropylethyl)-3H-1,3-benzoxazol-2-one
CID 112745106
6-[amino(pyrrolidin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116935441

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one (CID 61089171) is 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(C(O)CCC3CCCCC3)cc2o1.
What is the InChIKey of 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is IJEDOELSAYOUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14(9-6-11-4-2-1-3-5-11)12-7-8-13-15(10-12)20-16(19)17-13/h7-8,10-11,14,18H,1-6,9H2,(H,17,19).
What are the key properties of 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 61089171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).