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

C14H17NO2 — CID 82128672

IUPAC4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cocn2)cc1C(C)(C)C
InChIInChI=1S/C14H17NO2/c1-14(2,3)11-7-10(5-6-13(11)16-4)12-8-17-9-15-12/h5-9H,1-4H3
InChIKeySZNJBSQQQXWKHT-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.65
Rot. Bonds2

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

4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole (PubChem CID 82128672) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
PubChem CID82128672
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cocn2)cc1C(C)(C)C
InChIInChI=1S/C14H17NO2/c1-14(2,3)11-7-10(5-6-13(11)16-4)12-8-17-9-15-12/h5-9H,1-4H3
InChIKeySZNJBSQQQXWKHT-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 ≤ 500231.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-(1,3-oxazol-4-yl)phenol
CID 173339981
4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
CID 82301803
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624
5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
CID 170985844
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane
CID 137329780
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole (CID 82128672) is 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cocn2)cc1C(C)(C)C.
What is the InChIKey of 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is SZNJBSQQQXWKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)11-7-10(5-6-13(11)16-4)12-8-17-9-15-12/h5-9H,1-4H3.
What are the key properties of 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole?
4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 231.30 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 4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 82128672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).