5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile

C11H11N3OS — CID 79553621

IUPAC5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCc1cc(CNCc2cc(C#N)cs2)no1
InChIInChI=1S/C11H11N3OS/c1-8-2-10(14-15-8)5-13-6-11-3-9(4-12)7-16-11/h2-3,7,13H,5-6H2,1H3
InChIKeyPSHOAJYJPOXFRC-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.21
Rot. Bonds4

About 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile (PubChem CID 79553621) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
PubChem CID79553621
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCc1cc(CNCc2cc(C#N)cs2)no1
InChIInChI=1S/C11H11N3OS/c1-8-2-10(14-15-8)5-13-6-11-3-9(4-12)7-16-11/h2-3,7,13H,5-6H2,1H3
InChIKeyPSHOAJYJPOXFRC-UHFFFAOYSA-N
XLogP2.21
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79552994
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
5-[[(4-fluorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545257
5-[[(5-bromothiophen-3-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 115673615
5-[[(4-bromophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553080
5-[[(4-chlorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545494
2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile
CID 146091745
5-[[(1-methylcyclobutyl)methylamino]methyl]thiophene-3-carbonitrile
CID 103735904
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carbonitrile
CID 79553786
3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzonitrile
CID 78988272
5-[(3-methylpentan-3-ylamino)methyl]thiophene-3-carbonitrile
CID 115673653

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile (CID 79553621) is 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile is Cc1cc(CNCc2cc(C#N)cs2)no1.
What is the InChIKey of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is PSHOAJYJPOXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-2-10(14-15-8)5-13-6-11-3-9(4-12)7-16-11/h2-3,7,13H,5-6H2,1H3.
What are the key properties of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile?
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79553621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).