4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine

C16H22N2O — CID 116832630

IUPAC4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(C(C)(C)C)cc2C)c(C)o1
InChIInChI=1S/C16H22N2O/c1-10-9-12(16(3,4)5)7-8-13(10)14-11(2)19-15(17-6)18-14/h7-9H,1-6H3,(H,17,18)
InChIKeyPVDVVIKJQQZRFS-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.30
Rot. Bonds2

About 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine

4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine (PubChem CID 116832630) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
PubChem CID116832630
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(C(C)(C)C)cc2C)c(C)o1
InChIInChI=1S/C16H22N2O/c1-10-9-12(16(3,4)5)7-8-13(10)14-11(2)19-15(17-6)18-14/h7-9H,1-6H3,(H,17,18)
InChIKeyPVDVVIKJQQZRFS-UHFFFAOYSA-N
XLogP4.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-4-(2,4,5-trimethylphenyl)-1,3-oxazol-2-amine
CID 116832613
4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831798
4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832589
4-(4-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484831
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
[2-(4-tert-butyl-2-methylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892119
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
CID 116892310
4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
CID 123751575
5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine
CID 82477837
4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831894
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
CID 116868799

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine (CID 116832630) is 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine is CNc1nc(-c2ccc(C(C)(C)C)cc2C)c(C)o1.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
The InChIKey is PVDVVIKJQQZRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-9-12(16(3,4)5)7-8-13(10)14-11(2)19-15(17-6)18-14/h7-9H,1-6H3,(H,17,18).
What are the key properties of 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine has a molecular weight of 258.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).