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

C15H10ClFN2O — CID 43157981

IUPAC4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H10ClFN2O/c16-11-3-1-2-10(8-11)13-14(19-20-15(13)18)9-4-6-12(17)7-5-9/h1-8H,18H2
InChIKeyDDQINTYVBRAJNV-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.38
Rot. Bonds2

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

4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43157981) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43157981
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H10ClFN2O/c16-11-3-1-2-10(8-11)13-14(19-20-15(13)18)9-4-6-12(17)7-5-9/h1-8H,18H2
InChIKeyDDQINTYVBRAJNV-UHFFFAOYSA-N
XLogP4.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 63036543
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 43157981) is 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is DDQINTYVBRAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-11-3-1-2-10(8-11)13-14(19-20-15(13)18)9-4-6-12(17)7-5-9/h1-8H,18H2.
What are the key properties of 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 288.71 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43157981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).