5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine

C17H24N2O — CID 114877544

IUPAC5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCCC(C)Cc1onc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-5-12(4)10-15-16(17(18)19-20-15)14-8-6-13(7-9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19)
InChIKeyCOFLZOXNTXLVQZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.64
Rot. Bonds5

About 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine

5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 114877544) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
PubChem CID114877544
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCCC(C)Cc1onc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-5-12(4)10-15-16(17(18)19-20-15)14-8-6-13(7-9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19)
InChIKeyCOFLZOXNTXLVQZ-UHFFFAOYSA-N
XLogP4.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66203226
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 114877558
4-(2-methoxyphenyl)-5-(2-methylbutyl)-1,2-oxazol-3-amine
CID 114877509
5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 106690678
4-ethyl-5-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66199437
4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
CID 80524936
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
5-(3-methylbutyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525854

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine (CID 114877544) is 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine is CCC(C)Cc1onc(N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is COFLZOXNTXLVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-12(4)10-15-16(17(18)19-20-15)14-8-6-13(7-9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19).
What are the key properties of 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 272.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 114877544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).