4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine

C13H15ClN2O — CID 66198932

IUPAC4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1onc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-8(2)7-11-12(13(15)16-17-11)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyLNUDSGIJMGFZJA-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.78
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine

4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66198932) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66198932
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1onc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-8(2)7-11-12(13(15)16-17-11)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyLNUDSGIJMGFZJA-UHFFFAOYSA-N
XLogP3.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
5-(2-methylbutyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 114877544
5-(3-methylbutyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525854
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
CID 66200930
4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
CID 80524936
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66203226
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66200932

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66198932) is 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)Cc1onc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is LNUDSGIJMGFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8(2)7-11-12(13(15)16-17-11)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 250.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).