5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile

C18H14FN3O2 — CID 664783

IUPAC5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(NCc2ccc(F)cc2)o1
InChIInChI=1S/C18H14FN3O2/c1-23-16-5-3-2-4-14(16)17-22-15(10-20)18(24-17)21-11-12-6-8-13(19)9-7-12/h2-9,21H,11H2,1H3
InChIKeyULBWRFXUHUOWPV-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.97
Rot. Bonds5

About 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile

5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 664783) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID664783
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(NCc2ccc(F)cc2)o1
InChIInChI=1S/C18H14FN3O2/c1-23-16-5-3-2-4-14(16)17-22-15(10-20)18(24-17)21-11-12-6-8-13(19)9-7-12/h2-9,21H,11H2,1H3
InChIKeyULBWRFXUHUOWPV-UHFFFAOYSA-N
XLogP3.97
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 664783) is 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile is COc1ccccc1-c1nc(C#N)c(NCc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ULBWRFXUHUOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-23-16-5-3-2-4-14(16)17-22-15(10-20)18(24-17)21-11-12-6-8-13(19)9-7-12/h2-9,21H,11H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 323.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).