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

C15H20N2O3 — CID 117442637

IUPAC4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(C(C)(C)C)c(OC)cc1-c1cnoc1N
InChIInChI=1S/C15H20N2O3/c1-15(2,3)11-7-12(18-4)9(6-13(11)19-5)10-8-17-20-14(10)16/h6-8H,16H2,1-5H3
InChIKeyIEXIWPMUEYIWKX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.24
Rot. Bonds3

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

4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117442637) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117442637
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(C(C)(C)C)c(OC)cc1-c1cnoc1N
InChIInChI=1S/C15H20N2O3/c1-15(2,3)11-7-12(18-4)9(6-13(11)19-5)10-8-17-20-14(10)16/h6-8H,16H2,1-5H3
InChIKeyIEXIWPMUEYIWKX-UHFFFAOYSA-N
XLogP3.24
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine
CID 54187127
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117388349
4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117493833

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117442637) is 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(C(C)(C)C)c(OC)cc1-c1cnoc1N.
What is the InChIKey of 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is IEXIWPMUEYIWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)11-7-12(18-4)9(6-13(11)19-5)10-8-17-20-14(10)16/h6-8H,16H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 276.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117442637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).