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

C15H20N2O2 — CID 66200446

IUPAC5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-5-18-11-8-6-10(7-9-11)12-13(15(2,3)4)19-17-14(12)16/h6-9H,5H2,1-4H3,(H2,16,17)
InChIKeyNPIITSJTFGTMRS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.62
Rot. Bonds3

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

5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66200446) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66200446
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-5-18-11-8-6-10(7-9-11)12-13(15(2,3)4)19-17-14(12)16/h6-9H,5H2,1-4H3,(H2,16,17)
InChIKeyNPIITSJTFGTMRS-UHFFFAOYSA-N
XLogP3.62
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 66202068
4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62677870
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843
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
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
CID 80645079
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 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine (CID 66200446) is 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine is CCOc1ccc(-c2c(N)noc2C(C)(C)C)cc1.
What is the InChIKey of 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is NPIITSJTFGTMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-18-11-8-6-10(7-9-11)12-13(15(2,3)4)19-17-14(12)16/h6-9H,5H2,1-4H3,(H2,16,17).
What are the key properties of 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine?
5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).