5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine

C17H24N2O2 — CID 66202645

IUPAC5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-5-6-15-16(17(18)19-21-15)13-7-9-14(10-8-13)20-11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19)
InChIKeyYDLHKHZXFUIWGX-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.30
Rot. Bonds7

About 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine

5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 66202645) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
PubChem CID66202645
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-5-6-15-16(17(18)19-21-15)13-7-9-14(10-8-13)20-11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19)
InChIKeyYDLHKHZXFUIWGX-UHFFFAOYSA-N
XLogP4.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66203226
4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 66202068
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
5-(3-methylbutyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525854
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200570
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050
5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 66200446
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198020
4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200738
2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
CID 96667603

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine (CID 66202645) is 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine is CCCCc1onc(N)c1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is YDLHKHZXFUIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-6-15-16(17(18)19-21-15)13-7-9-14(10-8-13)20-11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19).
What are the key properties of 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine?
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 288.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 66202645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).