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

C18H18N2O — CID 99964771

IUPAC3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole
SMILESCC(C)(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-8-6-13(7-9-15)16-11-17(21-20-16)14-5-4-10-19-12-14/h4-12H,1-3H3
InChIKeyCAZQGHRVIOUJKV-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.70
Rot. Bonds2

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

3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole (PubChem CID 99964771) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole
PubChem CID99964771
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole
SMILESCC(C)(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-8-6-13(7-9-15)16-11-17(21-20-16)14-5-4-10-19-12-14/h4-12H,1-3H3
InChIKeyCAZQGHRVIOUJKV-UHFFFAOYSA-N
XLogP4.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
5-(3-methylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 44546226
1-[3-(3-pyridin-3-yl-1,2-oxazol-5-yl)phenyl]ethanone
CID 44546286
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
methyl-diphenyl-(3-pyridin-3-yl-1,2-oxazol-5-yl)silane
CID 10593425
(4-tert-butylphenyl)boronic acid;3-(4-tert-butylphenyl)pyridine
CID 165063634
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55757393
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole (CID 99964771) is 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole is CC(C)(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is CAZQGHRVIOUJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)15-8-6-13(7-9-15)16-11-17(21-20-16)14-5-4-10-19-12-14/h4-12H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole?
3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 278.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 99964771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).