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

C15H20N2O2 — CID 66198552

IUPAC4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C(C)C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-9(2)10(3)14-13(15(16)17-19-14)11-5-7-12(18-4)8-6-11/h5-10H,1-4H3,(H2,16,17)
InChIKeyLSOIKPPNZQWUBY-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.69
Rot. Bonds4

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

4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine (PubChem CID 66198552) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
PubChem CID66198552
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C(C)C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-9(2)10(3)14-13(15(16)17-19-14)11-5-7-12(18-4)8-6-11/h5-10H,1-4H3,(H2,16,17)
InChIKeyLSOIKPPNZQWUBY-UHFFFAOYSA-N
XLogP3.69
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine (CID 66198552) is 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine is COc1ccc(-c2c(N)noc2C(C)C(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is LSOIKPPNZQWUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)10(3)14-13(15(16)17-19-14)11-5-7-12(18-4)8-6-11/h5-10H,1-4H3,(H2,16,17).
What are the key properties of 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).