4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine

C17H24N2O2 — CID 66198768

IUPAC4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
SMILESCOc1ccccc1-c1c(N)noc1CC(C)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(17(2,3)4)10-14-15(16(18)19-21-14)12-8-6-7-9-13(12)20-5/h6-9,11H,10H2,1-5H3,(H2,18,19)
InChIKeyRNZUGJNZGBYCJD-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.16
Rot. Bonds4

About 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine

4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine (PubChem CID 66198768) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
PubChem CID66198768
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
SMILESCOc1ccccc1-c1c(N)noc1CC(C)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(17(2,3)4)10-14-15(16(18)19-21-14)12-8-6-7-9-13(12)20-5/h6-9,11H,10H2,1-5H3,(H2,18,19)
InChIKeyRNZUGJNZGBYCJD-UHFFFAOYSA-N
XLogP4.16
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-5-(2-methylbutyl)-1,2-oxazol-3-amine
CID 114877509
5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200570
4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
CID 80524936
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 104643337
5-(furan-3-yl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199968
5-cyclohexyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198368
4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66198370
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764
4-(2-methoxyphenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122324

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine (CID 66198768) is 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine is COc1ccccc1-c1c(N)noc1CC(C)C(C)(C)C.
What is the InChIKey of 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
The InChIKey is RNZUGJNZGBYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(17(2,3)4)10-14-15(16(18)19-21-14)12-8-6-7-9-13(12)20-5/h6-9,11H,10H2,1-5H3,(H2,18,19).
What are the key properties of 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine has a molecular weight of 288.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).