3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine

C16H22N2O — CID 82089595

IUPAC3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O/c1-5-6-7-13-15(16(17)19-18-13)14-11(3)8-10(2)9-12(14)4/h8-9H,5-7,17H2,1-4H3
InChIKeyKEFFNDVXEHINCL-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.19
Rot. Bonds4

About 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine

3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 82089595) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
PubChem CID82089595
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O/c1-5-6-7-13-15(16(17)19-18-13)14-11(3)8-10(2)9-12(14)4/h8-9H,5-7,17H2,1-4H3
InChIKeyKEFFNDVXEHINCL-UHFFFAOYSA-N
XLogP4.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 55130857
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
CID 114753015
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
4-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 82086131
2-butyl-1,3,5-trimethylbenzene
CID 527298
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106
4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
CID 82078789
3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine
CID 62365707

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine (CID 82089595) is 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine is CCCCc1noc(N)c1-c1c(C)cc(C)cc1C.
What is the InChIKey of 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is KEFFNDVXEHINCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-6-7-13-15(16(17)19-18-13)14-11(3)8-10(2)9-12(14)4/h8-9H,5-7,17H2,1-4H3.
What are the key properties of 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 258.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82089595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).