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

C17H24N2O3 — CID 3814351

IUPAC3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine
SMILESCCOc1cc(C(C)(C)C)c(OCC)cc1-c1cc(N)on1
InChIInChI=1S/C17H24N2O3/c1-6-20-14-9-12(17(3,4)5)15(21-7-2)8-11(14)13-10-16(18)22-19-13/h8-10H,6-7,18H2,1-5H3
InChIKeyLTGBKXVSEDBNAI-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.02
Rot. Bonds5

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

3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 3814351) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID3814351
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine
SMILESCCOc1cc(C(C)(C)C)c(OCC)cc1-c1cc(N)on1
InChIInChI=1S/C17H24N2O3/c1-6-20-14-9-12(17(3,4)5)15(21-7-2)8-11(14)13-10-16(18)22-19-13/h8-10H,6-7,18H2,1-5H3
InChIKeyLTGBKXVSEDBNAI-UHFFFAOYSA-N
XLogP4.02
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
CID 3717112
3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
CID 3764217
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5182552
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
CID 102460530
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117454226
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117405269

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine (CID 3814351) is 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine is CCOc1cc(C(C)(C)C)c(OCC)cc1-c1cc(N)on1.
What is the InChIKey of 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is LTGBKXVSEDBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-6-20-14-9-12(17(3,4)5)15(21-7-2)8-11(14)13-10-16(18)22-19-13/h8-10H,6-7,18H2,1-5H3.
What are the key properties of 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine?
3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 304.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3814351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).