5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C12H11N3OS — CID 891606

IUPAC5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCCC1
InChIInChI=1S/C12H11N3OS/c13-8-9-12(15-5-1-2-6-15)16-11(14-9)10-4-3-7-17-10/h3-4,7H,1-2,5-6H2
InChIKeySZQUBRVPSUAPNK-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.87
Rot. Bonds2

About 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 891606) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID891606
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCCC1
InChIInChI=1S/C12H11N3OS/c13-8-9-12(15-5-1-2-6-15)16-11(14-9)10-4-3-7-17-10/h3-4,7H,1-2,5-6H2
InChIKeySZQUBRVPSUAPNK-UHFFFAOYSA-N
XLogP2.87
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 172898325
5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 42587303
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 154811224
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 661055
2-(2-fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
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
5-(azepan-1-yl)-4-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole
CID 5267327
2-(2-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822634
5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 139582427
4-(benzenesulfonyl)-5-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole
CID 5267221
5-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 949795

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 891606) is 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is SZQUBRVPSUAPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-8-9-12(15-5-1-2-6-15)16-11(14-9)10-4-3-7-17-10/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).