[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane

C17H22BrNO2 — CID 143937445

IUPAC[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
SMILESC1CCCCC1.OC(c1ccccc1)c1ncc(CBr)o1
InChIInChI=1S/C11H10BrNO2.C6H12/c12-6-9-7-13-11(15-9)10(14)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5,7,10,14H,6H2;1-6H2
InChIKeyUZUOSNDIWMXJHS-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.99
Rot. Bonds3

About [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane

[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane (PubChem CID 143937445) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane.

Molecular Properties

Compound Name[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
PubChem CID143937445
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
SMILESC1CCCCC1.OC(c1ccccc1)c1ncc(CBr)o1
InChIInChI=1S/C11H10BrNO2.C6H12/c12-6-9-7-13-11(15-9)10(14)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5,7,10,14H,6H2;1-6H2
InChIKeyUZUOSNDIWMXJHS-UHFFFAOYSA-N
XLogP4.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane 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-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
CID 143732281
3-[3-[2-[2-[hydroxy(phenyl)methyl]-1,3-oxazol-5-yl]ethyl-methylamino]propoxy]benzaldehyde
CID 143732297
cyclohexane;4-hydroxy-7-[2-[2-[5-[[2-[2-[hydroxy(phenyl)methyl]-1,3-oxazol-5-yl]ethyl-methylamino]methyl]thiophen-2-yl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
CID 143937483
(S)-1,3,4-oxadiazol-2-yl(phenyl)methanol
CID 101417639
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
2-butan-2-ylsulfanylbutane;1,3,4-oxadiazol-2-yl(phenyl)methanol
CID 175177719
[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65143990
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179120
(R)-phenyl-[2-tri(propan-2-yl)silyl-1,3-oxazol-5-yl]methanol
CID 129404159
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
(4-methyl-1,3-oxazol-2-yl)-phenylmethanol
CID 13159069

Frequently Asked Questions

What is the IUPAC name of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
The IUPAC name of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane (CID 143937445) is [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane.
What is the SMILES notation for [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
The canonical SMILES for [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane is C1CCCCC1.OC(c1ccccc1)c1ncc(CBr)o1.
What is the InChIKey of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
The InChIKey is UZUOSNDIWMXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2.C6H12/c12-6-9-7-13-11(15-9)10(14)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5,7,10,14H,6H2;1-6H2.
What are the key properties of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane has a molecular weight of 352.27 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane is sourced from PubChem (CID 143937445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).