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

C16H22N2O — CID 116831894

IUPAC4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
SMILESCCc1oc(N)nc1-c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C16H22N2O/c1-6-13-14(18-15(17)19-13)12-9-11(16(3,4)5)8-7-10(12)2/h7-9H,6H2,1-5H3,(H2,17,18)
InChIKeyVUQZFIWCGJBQLY-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.09
Rot. Bonds2

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

4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine (PubChem CID 116831894) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
PubChem CID116831894
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
SMILESCCc1oc(N)nc1-c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C16H22N2O/c1-6-13-14(18-15(17)19-13)12-9-11(16(3,4)5)8-7-10(12)2/h7-9H,6H2,1-5H3,(H2,17,18)
InChIKeyVUQZFIWCGJBQLY-UHFFFAOYSA-N
XLogP4.09
TPSA52.05 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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831798
4-(5-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484825
4-(2,4-dimethoxy-6-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831957
5-tert-butyl-2-methylaniline
CID 13089979
4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
CID 116831962
5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
CID 116831941
5-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 105472325
[5-ethyl-4-(2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 105470035
4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
CID 82294442
2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049649
[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82294383
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
CID 116868799

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine (CID 116831894) is 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine is CCc1oc(N)nc1-c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine?
The InChIKey is VUQZFIWCGJBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-6-13-14(18-15(17)19-13)12-9-11(16(3,4)5)8-7-10(12)2/h7-9H,6H2,1-5H3,(H2,17,18).
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine?
4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine has a molecular weight of 258.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).