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

C9H7N3OS — CID 66009904

IUPAC5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N)o2)s1
InChIInChI=1S/C9H7N3OS/c1-5-2-3-7(14-5)9-12-6(4-10)8(11)13-9/h2-3H,11H2,1H3
InChIKeyLGIGWENSKIODNO-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.17
Rot. Bonds1

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

5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 66009904) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID66009904
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N)o2)s1
InChIInChI=1S/C9H7N3OS/c1-5-2-3-7(14-5)9-12-6(4-10)8(11)13-9/h2-3H,11H2,1H3
InChIKeyLGIGWENSKIODNO-UHFFFAOYSA-N
XLogP2.17
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile (CID 66009904) is 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(N)o2)s1.
What is the InChIKey of 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is LGIGWENSKIODNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-5-2-3-7(14-5)9-12-6(4-10)8(11)13-9/h2-3H,11H2,1H3.
What are the key properties of 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66009904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).