(5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane

C12H20BrNO3 — CID 145258985

IUPAC(5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane
SMILESCC.OCc1noc(Br)c1OC1CCCCC1
InChIInChI=1S/C10H14BrNO3.C2H6/c11-10-9(8(6-13)12-15-10)14-7-4-2-1-3-5-7;1-2/h7,13H,1-6H2;1-2H3
InChIKeyYBQJYNKASQSQHB-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.67
Rot. Bonds3

About (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane

(5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane (PubChem CID 145258985) has the molecular formula C12H20BrNO3 and a molecular weight of 306.20 g/mol. Its IUPAC name is (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane.

Molecular Properties

Compound Name(5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane
PubChem CID145258985
Molecular FormulaC12H20BrNO3
Molecular Weight306.20 g/mol
Exact Mass305.06
IUPAC Name(5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane
SMILESCC.OCc1noc(Br)c1OC1CCCCC1
InChIInChI=1S/C10H14BrNO3.C2H6/c11-10-9(8(6-13)12-15-10)14-7-4-2-1-3-5-7;1-2/h7,13H,1-6H2;1-2H3
InChIKeyYBQJYNKASQSQHB-UHFFFAOYSA-N
XLogP3.67
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-cyclobutyl-4-methyl-1,2-oxazol-3-yl)methanol
CID 130703469
7-cyclohexyloxy-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 23339216
2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine
CID 22151733
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
(5-bromo-2-cyclopentyloxy-3-pyridinyl)methanol
CID 62000006
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427
2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol
CID 2992556
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
4-[2-[tert-butyl(dimethyl)silyl]oxy-6-cyclopentyloxy-3,5-dimethoxy-4-methylphenyl]butanamide
CID 170667610
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
CID 83184474

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane?
The IUPAC name of (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane (CID 145258985) is (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane.
What is the SMILES notation for (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane?
The canonical SMILES for (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane is CC.OCc1noc(Br)c1OC1CCCCC1.
What is the InChIKey of (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane?
The InChIKey is YBQJYNKASQSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3.C2H6/c11-10-9(8(6-13)12-15-10)14-7-4-2-1-3-5-7;1-2/h7,13H,1-6H2;1-2H3.
What are the key properties of (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane?
(5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane has a molecular weight of 306.20 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-cyclohexyloxy-1,2-oxazol-3-yl)methanol;ethane is sourced from PubChem (CID 145258985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).