5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile

C10H9N3OS — CID 5200281

IUPAC5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile
SMILESCCc1ccc(-c2noc(N)c2C#N)s1
InChIInChI=1S/C10H9N3OS/c1-2-6-3-4-8(15-6)9-7(5-11)10(12)14-13-9/h3-4H,2,12H2,1H3
InChIKeyBMDYXNIKEOZESQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.42
Rot. Bonds2

About 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile

5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 5200281) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile
PubChem CID5200281
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile
SMILESCCc1ccc(-c2noc(N)c2C#N)s1
InChIInChI=1S/C10H9N3OS/c1-2-6-3-4-8(15-6)9-7(5-11)10(12)14-13-9/h3-4H,2,12H2,1H3
InChIKeyBMDYXNIKEOZESQ-UHFFFAOYSA-N
XLogP2.42
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile (CID 5200281) is 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile is CCc1ccc(-c2noc(N)c2C#N)s1.
What is the InChIKey of 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is BMDYXNIKEOZESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-2-6-3-4-8(15-6)9-7(5-11)10(12)14-13-9/h3-4H,2,12H2,1H3.
What are the key properties of 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 219.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-ethylthiophen-2-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 5200281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).