5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C10H9N3OS — CID 139582427

IUPAC5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCCNc1oc(-c2cccs2)nc1C#N
InChIInChI=1S/C10H9N3OS/c1-2-12-9-7(6-11)13-10(14-9)8-4-3-5-15-8/h3-5,12H,2H2,1H3
InChIKeyOKNNCDHNPSUVOR-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.71
Rot. Bonds3

About 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 139582427) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID139582427
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCCNc1oc(-c2cccs2)nc1C#N
InChIInChI=1S/C10H9N3OS/c1-2-12-9-7(6-11)13-10(14-9)8-4-3-5-15-8/h3-5,12H,2H2,1H3
InChIKeyOKNNCDHNPSUVOR-UHFFFAOYSA-N
XLogP2.71
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 43842791
5-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 35342553
5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 34924769
ethanol;bis(5-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile)
CID 146121027
5-[[4-(2-fluorophenoxy)phenyl]methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 171692000
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606
5-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 35181180
5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 34924759
5-(ethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1080237
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 154811224
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
5-(3-ethoxypropylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750765

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 139582427) is 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is CCNc1oc(-c2cccs2)nc1C#N.
What is the InChIKey of 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is OKNNCDHNPSUVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-2-12-9-7(6-11)13-10(14-9)8-4-3-5-15-8/h3-5,12H,2H2,1H3.
What are the key properties of 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 219.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 139582427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).