5-(4-butylphenyl)-3-methyl-1,2-oxazole

C14H17NO — CID 169499000

IUPAC5-(4-butylphenyl)-3-methyl-1,2-oxazole
SMILESCCCCc1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C14H17NO/c1-3-4-5-12-6-8-13(9-7-12)14-10-11(2)15-16-14/h6-10H,3-5H2,1-2H3
InChIKeyYJHXUVGYBDZUIK-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.99
Rot. Bonds4

About 5-(4-butylphenyl)-3-methyl-1,2-oxazole

5-(4-butylphenyl)-3-methyl-1,2-oxazole (PubChem CID 169499000) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(4-butylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-butylphenyl)-3-methyl-1,2-oxazole
PubChem CID169499000
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-(4-butylphenyl)-3-methyl-1,2-oxazole
SMILESCCCCc1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C14H17NO/c1-3-4-5-12-6-8-13(9-7-12)14-10-11(2)15-16-14/h6-10H,3-5H2,1-2H3
InChIKeyYJHXUVGYBDZUIK-UHFFFAOYSA-N
XLogP3.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681
1-[4-[5-(4-butylphenyl)-1,2-oxazol-3-yl]phenyl]ethanone
CID 58428317
4-(4-butylphenyl)-2-methylpyridine
CID 154955904
5-(4-hexylphenyl)-1,2-oxazole
CID 90878874
N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904535
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
4-(4-butylphenyl)-2,6-dimethylpyrylium
CID 101036687
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472179
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
4-(4-butylphenyl)-1-methylimidazole
CID 82078465

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-butylphenyl)-3-methyl-1,2-oxazole (CID 169499000) is 5-(4-butylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-butylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-butylphenyl)-3-methyl-1,2-oxazole is CCCCc1ccc(-c2cc(C)no2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is YJHXUVGYBDZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-5-12-6-8-13(9-7-12)14-10-11(2)15-16-14/h6-10H,3-5H2,1-2H3.
What are the key properties of 5-(4-butylphenyl)-3-methyl-1,2-oxazole?
5-(4-butylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 169499000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).