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

C12H14N2O2 — CID 66199638

IUPAC4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2C)cc1
InChIInChI=1S/C12H14N2O2/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-14-12(11)13/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyNTOHTIGPUYHICM-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.63
Rot. Bonds3

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

4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 66199638) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID66199638
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2C)cc1
InChIInChI=1S/C12H14N2O2/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-14-12(11)13/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyNTOHTIGPUYHICM-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 66200446
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66199845
5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522490
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62677870
3-ethoxy-5-methyl-4-phenyl-1,2-oxazole
CID 12968367
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921935

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine (CID 66199638) is 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine is CCOc1ccc(-c2c(N)noc2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is NTOHTIGPUYHICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-14-12(11)13/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine?
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).