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

C11H10ClFN2O — CID 116831788

IUPAC5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine
SMILESCc1cc(Cl)c(-c2oc(N)nc2C)cc1F
InChIInChI=1S/C11H10ClFN2O/c1-5-3-8(12)7(4-9(5)13)10-6(2)15-11(14)16-10/h3-4H,1-2H3,(H2,14,15)
InChIKeyOTOJATKOVIDPJH-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.33
Rot. Bonds1

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

5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine (PubChem CID 116831788) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine
PubChem CID116831788
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine
SMILESCc1cc(Cl)c(-c2oc(N)nc2C)cc1F
InChIInChI=1S/C11H10ClFN2O/c1-5-3-8(12)7(4-9(5)13)10-6(2)15-11(14)16-10/h3-4H,1-2H3,(H2,14,15)
InChIKeyOTOJATKOVIDPJH-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834343
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826863
5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine
CID 81045380
5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834344
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
CID 116897024
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
CID 116856670
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901
2-(2-chloro-4,5-difluorophenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91675007

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine?
The IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine (CID 116831788) is 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine is Cc1cc(Cl)c(-c2oc(N)nc2C)cc1F.
What is the InChIKey of 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine?
The InChIKey is OTOJATKOVIDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-5-3-8(12)7(4-9(5)13)10-6(2)15-11(14)16-10/h3-4H,1-2H3,(H2,14,15).
What are the key properties of 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine?
5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine has a molecular weight of 240.66 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-4-methylphenyl)-4-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).