3-(4-tert-butyl-1,3-oxazol-2-yl)aniline

C13H16N2O — CID 115029631

IUPAC3-(4-tert-butyl-1,3-oxazol-2-yl)aniline
SMILESCC(C)(C)c1coc(-c2cccc(N)c2)n1
InChIInChI=1S/C13H16N2O/c1-13(2,3)11-8-16-12(15-11)9-5-4-6-10(14)7-9/h4-8H,14H2,1-3H3
InChIKeyQUYQXIKVGWUNAZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.22
Rot. Bonds1

About 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline

3-(4-tert-butyl-1,3-oxazol-2-yl)aniline (PubChem CID 115029631) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-oxazol-2-yl)aniline
PubChem CID115029631
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(4-tert-butyl-1,3-oxazol-2-yl)aniline
SMILESCC(C)(C)c1coc(-c2cccc(N)c2)n1
InChIInChI=1S/C13H16N2O/c1-13(2,3)11-8-16-12(15-11)9-5-4-6-10(14)7-9/h4-8H,14H2,1-3H3
InChIKeyQUYQXIKVGWUNAZ-UHFFFAOYSA-N
XLogP3.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971452
3-[4-(2-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971523
methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
CID 16731543
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
4-tert-butyl-1,3-oxazol-2-amine;hydrochloride
CID 118994196
4-(4-tert-butyl-1,3-oxazol-2-yl)-1,2-oxazol-5-amine
CID 105460208
4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt
CID 175846067
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-[3-(2,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057805
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole
CID 139020278
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline (CID 115029631) is 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline is CC(C)(C)c1coc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline?
The InChIKey is QUYQXIKVGWUNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)11-8-16-12(15-11)9-5-4-6-10(14)7-9/h4-8H,14H2,1-3H3.
What are the key properties of 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline?
3-(4-tert-butyl-1,3-oxazol-2-yl)aniline has a molecular weight of 216.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 115029631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).