2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile

C17H12FN3O2 — CID 693660

IUPAC2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2C#N)cc1
InChIInChI=1S/C17H12FN3O2/c1-22-14-8-6-13(7-9-14)20-17-15(10-19)21-16(23-17)11-2-4-12(18)5-3-11/h2-9,20H,1H3
InChIKeyLUSOSEJHURWLPR-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.10
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile

2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile (PubChem CID 693660) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
PubChem CID693660
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2C#N)cc1
InChIInChI=1S/C17H12FN3O2/c1-22-14-8-6-13(7-9-14)20-17-15(10-19)21-16(23-17)11-2-4-12(18)5-3-11/h2-9,20H,1H3
InChIKeyLUSOSEJHURWLPR-UHFFFAOYSA-N
XLogP4.10
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile (CID 693660) is 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile is COc1ccc(Nc2oc(-c3ccc(F)cc3)nc2C#N)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
The InChIKey is LUSOSEJHURWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-22-14-8-6-13(7-9-14)20-17-15(10-19)21-16(23-17)11-2-4-12(18)5-3-11/h2-9,20H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile has a molecular weight of 309.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 693660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).