cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol

C15H17NO2 — CID 146331865

IUPACcyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)(c2cc(C)on2)C2CC2)cc1
InChIInChI=1S/C15H17NO2/c1-10-3-5-12(6-4-10)15(17,13-7-8-13)14-9-11(2)18-16-14/h3-6,9,13,17H,7-8H2,1-2H3
InChIKeyLHDFABJRHDDQBY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.94
Rot. Bonds3

About cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol

cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol (PubChem CID 146331865) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol
PubChem CID146331865
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namecyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)(c2cc(C)on2)C2CC2)cc1
InChIInChI=1S/C15H17NO2/c1-10-3-5-12(6-4-10)15(17,13-7-8-13)14-9-11(2)18-16-14/h3-6,9,13,17H,7-8H2,1-2H3
InChIKeyLHDFABJRHDDQBY-UHFFFAOYSA-N
XLogP2.94
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol?
The IUPAC name of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol (CID 146331865) is cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol?
The canonical SMILES for cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)(c2cc(C)on2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol?
The InChIKey is LHDFABJRHDDQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-3-5-12(6-4-10)15(17,13-7-8-13)14-9-11(2)18-16-14/h3-6,9,13,17H,7-8H2,1-2H3.
What are the key properties of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol?
cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol has a molecular weight of 243.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 146331865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).