4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine

C16H22N2O2 — CID 62677870

IUPAC4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(C(C)(C)CC)noc2N)cc1
InChIInChI=1S/C16H22N2O2/c1-5-16(3,4)14-13(15(17)20-18-14)11-7-9-12(10-8-11)19-6-2/h7-10H,5-6,17H2,1-4H3
InChIKeyGTYKJKQIDODOOF-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.01
Rot. Bonds5

About 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine

4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine (PubChem CID 62677870) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
PubChem CID62677870
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(C(C)(C)CC)noc2N)cc1
InChIInChI=1S/C16H22N2O2/c1-5-16(3,4)14-13(15(17)20-18-14)11-7-9-12(10-8-11)19-6-2/h7-10H,5-6,17H2,1-4H3
InChIKeyGTYKJKQIDODOOF-UHFFFAOYSA-N
XLogP4.01
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
4-(4-bromophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62679962
5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 66200446
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972766
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
CID 80645079
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335930

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine (CID 62677870) is 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine is CCOc1ccc(-c2c(C(C)(C)CC)noc2N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
The InChIKey is GTYKJKQIDODOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-16(3,4)14-13(15(17)20-18-14)11-7-9-12(10-8-11)19-6-2/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine has a molecular weight of 274.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62677870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).