[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol

C14H17NO2 — CID 82128657

IUPAC[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(C(C)C)cc2)c1CO
InChIInChI=1S/C14H17NO2/c1-9(2)11-4-6-12(7-5-11)14-13(8-16)10(3)17-15-14/h4-7,9,16H,8H2,1-3H3
InChIKeyJJMCGNRJZPKSQA-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.27
Rot. Bonds3

About [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol

[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 82128657) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID82128657
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(C(C)C)cc2)c1CO
InChIInChI=1S/C14H17NO2/c1-9(2)11-4-6-12(7-5-11)14-13(8-16)10(3)17-15-14/h4-7,9,16H,8H2,1-3H3
InChIKeyJJMCGNRJZPKSQA-UHFFFAOYSA-N
XLogP3.27
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868091
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 22221056
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 13051603
[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371289
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol (CID 82128657) is [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol is Cc1onc(-c2ccc(C(C)C)cc2)c1CO.
What is the InChIKey of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is JJMCGNRJZPKSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)11-4-6-12(7-5-11)14-13(8-16)10(3)17-15-14/h4-7,9,16H,8H2,1-3H3.
What are the key properties of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 231.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 82128657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).