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

C15H20N2O — CID 66199484

IUPAC5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2C(C)C(C)C)c1
InChIInChI=1S/C15H20N2O/c1-9(2)11(4)14-13(15(16)17-18-14)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H2,16,17)
InChIKeyQJUFLFIRSMVULC-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.99
Rot. Bonds3

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

5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66199484) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66199484
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2C(C)C(C)C)c1
InChIInChI=1S/C15H20N2O/c1-9(2)11(4)14-13(15(16)17-18-14)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H2,16,17)
InChIKeyQJUFLFIRSMVULC-UHFFFAOYSA-N
XLogP3.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66199484) is 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2c(N)noc2C(C)C(C)C)c1.
What is the InChIKey of 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is QJUFLFIRSMVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9(2)11(4)14-13(15(16)17-18-14)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H2,16,17).
What are the key properties of 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 244.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).