5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole

C14H17NO — CID 116868799

IUPAC5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
SMILESCc1ccc(C(C)(C)C)cc1-c1ccno1
InChIInChI=1S/C14H17NO/c1-10-5-6-11(14(2,3)4)9-12(10)13-7-8-15-16-13/h5-9H,1-4H3
InChIKeyLDULSPARPLCPSU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.95
Rot. Bonds1

About 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole

5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole (PubChem CID 116868799) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
PubChem CID116868799
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
SMILESCc1ccc(C(C)(C)C)cc1-c1ccno1
InChIInChI=1S/C14H17NO/c1-10-5-6-11(14(2,3)4)9-12(10)13-7-8-15-16-13/h5-9H,1-4H3
InChIKeyLDULSPARPLCPSU-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82294383
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82301029
5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyridin-2-amine
CID 59004562
4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
CID 82081404
1,4-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173062231
2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049649
[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol
CID 82090304
4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831798
5-(5-tert-butyl-2-methylphenyl)-1H-imidazole
CID 82078469
5-(5-methylthiophen-2-yl)-1,2-oxazole
CID 45099284
2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid
CID 57285741
[4-(5-tert-butyl-2-methylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 39103646

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole (CID 116868799) is 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole is Cc1ccc(C(C)(C)C)cc1-c1ccno1.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole?
The InChIKey is LDULSPARPLCPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-5-6-11(14(2,3)4)9-12(10)13-7-8-15-16-13/h5-9H,1-4H3.
What are the key properties of 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole?
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 116868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).