4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine

C14H9ClFN3O — CID 66200908

IUPAC4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccnc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H9ClFN3O/c15-9-4-1-5-10(16)11(9)12-13(20-19-14(12)17)8-3-2-6-18-7-8/h1-7H,(H2,17,19)
InChIKeyJHYLMDBMQKCWPM-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.78
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 66200908) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID66200908
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccnc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H9ClFN3O/c15-9-4-1-5-10(16)11(9)12-13(20-19-14(12)17)8-3-2-6-18-7-8/h1-7H,(H2,17,19)
InChIKeyJHYLMDBMQKCWPM-UHFFFAOYSA-N
XLogP3.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
5-(3-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524169
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
5-(2-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106864599
5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523943
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(5-chlorofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106690695
5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107954870

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine (CID 66200908) is 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccnc2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is JHYLMDBMQKCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-9-4-1-5-10(16)11(9)12-13(20-19-14(12)17)8-3-2-6-18-7-8/h1-7H,(H2,17,19).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 289.70 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).