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

C14H17NO2 — CID 165376767

IUPAC3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C14H17NO2/c1-14(2,3)13-9-12(17-15-13)10-5-7-11(16-4)8-6-10/h5-9H,1-4H3
InChIKeyCQVQEDWFPZTERG-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.65
Rot. Bonds2

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

3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 165376767) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole
PubChem CID165376767
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C14H17NO2/c1-14(2,3)13-9-12(17-15-13)10-5-7-11(16-4)8-6-10/h5-9H,1-4H3
InChIKeyCQVQEDWFPZTERG-UHFFFAOYSA-N
XLogP3.65
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861865
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
2-tert-butyl-5-(4-methoxyphenyl)furan
CID 59671510
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
CID 54613584
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole (CID 165376767) is 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is CQVQEDWFPZTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)13-9-12(17-15-13)10-5-7-11(16-4)8-6-10/h5-9H,1-4H3.
What are the key properties of 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole?
3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 231.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 165376767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).