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

C15H9ClF2N2O — CID 82793122

IUPAC4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H9ClF2N2O/c16-11-3-1-2-10(13(11)18)12-14(21-20-15(12)19)8-4-6-9(17)7-5-8/h1-7H,(H2,19,20)
InChIKeyRUACWVRYRCQKLW-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.52
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 82793122) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID82793122
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H9ClF2N2O/c16-11-3-1-2-10(13(11)18)12-14(21-20-15(12)19)8-4-6-9(17)7-5-8/h1-7H,(H2,19,20)
InChIKeyRUACWVRYRCQKLW-UHFFFAOYSA-N
XLogP4.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine (CID 82793122) is 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is RUACWVRYRCQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-11-3-1-2-10(13(11)18)12-14(21-20-15(12)19)8-4-6-9(17)7-5-8/h1-7H,(H2,19,20).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 306.70 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82793122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).