5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C15H13N5O2S — CID 154811224

IUPAC5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1noc(C2CCN(c3oc(-c4cccs4)nc3C#N)C2)n1
InChIInChI=1S/C15H13N5O2S/c1-9-17-13(22-19-9)10-4-5-20(8-10)15-11(7-16)18-14(21-15)12-3-2-6-23-12/h2-3,6,10H,4-5,8H2,1H3
InChIKeyGFQGAMAHYALPGU-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.96
Rot. Bonds3

About 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 154811224) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID154811224
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1noc(C2CCN(c3oc(-c4cccs4)nc3C#N)C2)n1
InChIInChI=1S/C15H13N5O2S/c1-9-17-13(22-19-9)10-4-5-20(8-10)15-11(7-16)18-14(21-15)12-3-2-6-23-12/h2-3,6,10H,4-5,8H2,1H3
InChIKeyGFQGAMAHYALPGU-UHFFFAOYSA-N
XLogP2.96
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-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-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606
5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 172898325
4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128979743
5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 42587303
5-[4-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 172898399
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 39835355
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075
5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 139582427
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057954
5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 155943252
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 154811224) is 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is Cc1noc(C2CCN(c3oc(-c4cccs4)nc3C#N)C2)n1.
What is the InChIKey of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is GFQGAMAHYALPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-9-17-13(22-19-9)10-4-5-20(8-10)15-11(7-16)18-14(21-15)12-3-2-6-23-12/h2-3,6,10H,4-5,8H2,1H3.
What are the key properties of 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 327.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 154811224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).