5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole

C14H17NO — CID 143746738

IUPAC5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
SMILESCc1cc(-c2ccc(CC(C)C)cc2)no1
InChIInChI=1S/C14H17NO/c1-10(2)8-12-4-6-13(7-5-12)14-9-11(3)16-15-14/h4-7,9-10H,8H2,1-3H3
InChIKeyYXLCVQGFRRHZLI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.85
Rot. Bonds3

About 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole

5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole (PubChem CID 143746738) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
PubChem CID143746738
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
SMILESCc1cc(-c2ccc(CC(C)C)cc2)no1
InChIInChI=1S/C14H17NO/c1-10(2)8-12-4-6-13(7-5-12)14-9-11(3)16-15-14/h4-7,9-10H,8H2,1-3H3
InChIKeyYXLCVQGFRRHZLI-UHFFFAOYSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 26597218
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
5-ethyl-4-methyl-2-[4-(2-methylpropyl)phenyl]pyridine
CID 163857972
1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde
CID 84761443
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602
5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
CID 155277374
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide
CID 116897049
methane;5-methyl-3-(3-methylphenyl)-1,2-oxazole
CID 161177844
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 141345284
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole (CID 143746738) is 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole is Cc1cc(-c2ccc(CC(C)C)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
The InChIKey is YXLCVQGFRRHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)8-12-4-6-13(7-5-12)14-9-11(3)16-15-14/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 143746738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).