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

C18H14FN3O — CID 892559

IUPAC2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCc1ccccc1
InChIInChI=1S/C18H14FN3O/c19-15-9-5-4-8-14(15)17-22-16(12-20)18(23-17)21-11-10-13-6-2-1-3-7-13/h1-9,21H,10-11H2
InChIKeyIQDINESGSGSYHN-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.01
Rot. Bonds5

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

2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 892559) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID892559
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCCc1ccccc1
InChIInChI=1S/C18H14FN3O/c19-15-9-5-4-8-14(15)17-22-16(12-20)18(23-17)21-11-10-13-6-2-1-3-7-13/h1-9,21H,10-11H2
InChIKeyIQDINESGSGSYHN-UHFFFAOYSA-N
XLogP4.01
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 664510
5-(Ethylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 974197
2-(Naphthalen-1-yl)-5-(propylamino)-1,3-oxazole-4-carbonitrile
CID 663428
2-(4-Methylphenyl)-5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 3146502
2-(4-Methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 693639
5-[(4-Methoxyphenyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 693659
2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
CID 693660
2-(4-Fluorophenyl)-5-[(furan-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 854897
5-(2-Furanylmethylamino)-2-(3-methylphenyl)-4-oxazolecarbonitrile
CID 940115
2-(2-Fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
1-[4-Cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 2408550
2-Phenyl-5-[(2-piperidylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 696134

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 892559) is 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1NCCc1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is IQDINESGSGSYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-15-9-5-4-8-14(15)17-22-16(12-20)18(23-17)21-11-10-13-6-2-1-3-7-13/h1-9,21H,10-11H2.
What are the key properties of 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 307.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).