5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole

C17H23NO — CID 101479492

IUPAC5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ncc(C(C)(C)C)o2)cc1
InChIInChI=1S/C17H23NO/c1-16(2,3)13-9-7-12(8-10-13)15-18-11-14(19-15)17(4,5)6/h7-11H,1-6H3
InChIKeyNSXRHKQKBMOBOA-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.94
Rot. Bonds1

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

5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole (PubChem CID 101479492) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
PubChem CID101479492
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1ccc(-c2ncc(C(C)(C)C)o2)cc1
InChIInChI=1S/C17H23NO/c1-16(2,3)13-9-7-12(8-10-13)15-18-11-14(19-15)17(4,5)6/h7-11H,1-6H3
InChIKeyNSXRHKQKBMOBOA-UHFFFAOYSA-N
XLogP4.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one
CID 154773404
methyl 4-[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]benzoate
CID 164863176
2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole
CID 57045867
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984
5-(4-tert-butylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 858350
2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 82337778
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
CID 11767205
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
5-tert-butyl-2-iodo-1,3-oxazole
CID 126702397
5-tert-butyl-2-[4-(4-tert-butylphenyl)phenyl]pyrimidine;ethane
CID 160558757

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole (CID 101479492) is 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole is CC(C)(C)c1ccc(-c2ncc(C(C)(C)C)o2)cc1.
What is the InChIKey of 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole?
The InChIKey is NSXRHKQKBMOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,3)13-9-7-12(8-10-13)15-18-11-14(19-15)17(4,5)6/h7-11H,1-6H3.
What are the key properties of 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole?
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole is sourced from PubChem (CID 101479492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).