5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile

C12H11N3OS — CID 2989339

IUPAC5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(C=Cc2cccs2)nc1C#N
InChIInChI=1S/C12H11N3OS/c1-15(2)12-10(8-13)14-11(16-12)6-5-9-4-3-7-17-9/h3-7H,1-2H3
InChIKeyYJHQTLNJWKIQAP-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.84
Rot. Bonds3

About 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile

5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 2989339) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID2989339
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(C=Cc2cccs2)nc1C#N
InChIInChI=1S/C12H11N3OS/c1-15(2)12-10(8-13)14-11(16-12)6-5-9-4-3-7-17-9/h3-7H,1-2H3
InChIKeyYJHQTLNJWKIQAP-UHFFFAOYSA-N
XLogP2.84
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
5-(butan-2-ylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750726
5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750728
5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 40726725
5-(3-ethoxypropylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750765
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200494
5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200614
5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750753
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200495
5-(4-benzylpiperazin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2986342
5-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647622
4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
CID 126495209

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (CID 2989339) is 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is CN(C)c1oc(C=Cc2cccs2)nc1C#N.
What is the InChIKey of 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is YJHQTLNJWKIQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-15(2)12-10(8-13)14-11(16-12)6-5-9-4-3-7-17-9/h3-7H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2989339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).