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

C15H11ClFN3O — CID 82788090

IUPAC4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
SMILESCc1cncc(-c2noc(N)c2-c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H11ClFN3O/c1-8-5-9(7-19-6-8)14-12(15(18)21-20-14)10-3-2-4-11(16)13(10)17/h2-7H,18H2,1H3
InChIKeyAVLKLKFQUZIDCG-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.09
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine (PubChem CID 82788090) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
PubChem CID82788090
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
SMILESCc1cncc(-c2noc(N)c2-c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H11ClFN3O/c1-8-5-9(7-19-6-8)14-12(15(18)21-20-14)10-3-2-4-11(16)13(10)17/h2-7H,18H2,1H3
InChIKeyAVLKLKFQUZIDCG-UHFFFAOYSA-N
XLogP4.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 114821385
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
CID 81317351
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
CID 82802899
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 81265627
3-(2-fluoro-3-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 81477801

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine (CID 82788090) is 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine is Cc1cncc(-c2noc(N)c2-c2cccc(Cl)c2F)c1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine?
The InChIKey is AVLKLKFQUZIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-8-5-9(7-19-6-8)14-12(15(18)21-20-14)10-3-2-4-11(16)13(10)17/h2-7H,18H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine?
4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine has a molecular weight of 303.72 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82788090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).