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

C9H7N3OS — CID 661065

IUPAC5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2cccs2)nc1C#N
InChIInChI=1S/C9H7N3OS/c1-11-8-6(5-10)12-9(13-8)7-3-2-4-14-7/h2-4,11H,1H3
InChIKeyNKWCHLPAXWCPAD-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.32
Rot. Bonds2

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

5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661065) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID661065
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2cccs2)nc1C#N
InChIInChI=1S/C9H7N3OS/c1-11-8-6(5-10)12-9(13-8)7-3-2-4-14-7/h2-4,11H,1H3
InChIKeyNKWCHLPAXWCPAD-UHFFFAOYSA-N
XLogP2.32
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 661065) is 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is CNc1oc(-c2cccs2)nc1C#N.
What is the InChIKey of 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is NKWCHLPAXWCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-11-8-6(5-10)12-9(13-8)7-3-2-4-14-7/h2-4,11H,1H3.
What are the key properties of 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).