5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine

C11H11ClN2O — CID 82890379

IUPAC5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1ccc(Cl)cc1-c1onc(N)c1C
InChIInChI=1S/C11H11ClN2O/c1-6-3-4-8(12)5-9(6)10-7(2)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyQYQCYSVWMURKQN-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.19
Rot. Bonds1

About 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine

5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 82890379) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID82890379
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1ccc(Cl)cc1-c1onc(N)c1C
InChIInChI=1S/C11H11ClN2O/c1-6-3-4-8(12)5-9(6)10-7(2)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyQYQCYSVWMURKQN-UHFFFAOYSA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 81479051
4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66200401
4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 79555310
4-(2,4-dichlorophenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66200956
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine (CID 82890379) is 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine is Cc1ccc(Cl)cc1-c1onc(N)c1C.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is QYQCYSVWMURKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-6-3-4-8(12)5-9(6)10-7(2)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 222.68 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 82890379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).