(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol

C18H19NO3 — CID 171485639

IUPAC(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol
SMILESCCC[C@@](O)(c1ccc(OC)cc1)c1nc2ccccc2o1
InChIInChI=1S/C18H19NO3/c1-3-12-18(20,13-8-10-14(21-2)11-9-13)17-19-15-6-4-5-7-16(15)22-17/h4-11,20H,3,12H2,1-2H3/t18-/m1/s1
InChIKeyLJODQBFHXPLKOD-GOSISDBHSA-N
MW297.35 g/mol
LogP3.87
Rot. Bonds5

About (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol

(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol (PubChem CID 171485639) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol
PubChem CID171485639
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol
SMILESCCC[C@@](O)(c1ccc(OC)cc1)c1nc2ccccc2o1
InChIInChI=1S/C18H19NO3/c1-3-12-18(20,13-8-10-14(21-2)11-9-13)17-19-15-6-4-5-7-16(15)22-17/h4-11,20H,3,12H2,1-2H3/t18-/m1/s1
InChIKeyLJODQBFHXPLKOD-GOSISDBHSA-N
XLogP3.87
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpentan-2-yl)-1,3-benzoxazole
CID 139407128
tert-butyl N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutyl]carbamate
CID 91179644
2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
CID 11231642
1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
CID 150066000
1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol
CID 175567545
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol?
The IUPAC name of (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol (CID 171485639) is (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol?
The canonical SMILES for (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol is CCC[C@@](O)(c1ccc(OC)cc1)c1nc2ccccc2o1.
What is the InChIKey of (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol?
The InChIKey is LJODQBFHXPLKOD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-12-18(20,13-8-10-14(21-2)11-9-13)17-19-15-6-4-5-7-16(15)22-17/h4-11,20H,3,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol?
(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol has a molecular weight of 297.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 171485639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).