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

C17H12FN3OS — CID 4750753

IUPAC5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2cccs2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS/c18-13-5-3-12(4-6-13)11-20-17-15(10-19)21-16(22-17)8-7-14-2-1-9-23-14/h1-9,20H,11H2
InChIKeyFWJQQTXJKCQPLW-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.53
Rot. Bonds5

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

5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 4750753) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID4750753
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2cccs2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS/c18-13-5-3-12(4-6-13)11-20-17-15(10-19)21-16(22-17)8-7-14-2-1-9-23-14/h1-9,20H,11H2
InChIKeyFWJQQTXJKCQPLW-UHFFFAOYSA-N
XLogP4.53
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200614
5-(3-ethoxypropylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750765
5-(butan-2-ylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750726
5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 40726725
5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 98385823
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2989339
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
5-[[4-(2-fluorophenoxy)phenyl]methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 171692000
2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 171145905
5-(4-benzylpiperazin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2986342
5-(benzylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200328
5-[(4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2408635

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (CID 4750753) is 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(C=Cc2cccs2)oc1NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FWJQQTXJKCQPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-13-5-3-12(4-6-13)11-20-17-15(10-19)21-16(22-17)8-7-14-2-1-9-23-14/h1-9,20H,11H2.
What are the key properties of 5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.53, 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-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 4750753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).