2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile

C11H11N3OS — CID 56658479

IUPAC2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile
SMILESCN(CC#N)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C11H11N3OS/c1-14(5-4-12)7-9-8-15-11(13-9)10-3-2-6-16-10/h2-3,6,8H,5,7H2,1H3
InChIKeyLCTVWNMNLRSDKP-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.36
Rot. Bonds4

About 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile

2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile (PubChem CID 56658479) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile
PubChem CID56658479
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile
SMILESCN(CC#N)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C11H11N3OS/c1-14(5-4-12)7-9-8-15-11(13-9)10-3-2-6-16-10/h2-3,6,8H,5,7H2,1H3
InChIKeyLCTVWNMNLRSDKP-UHFFFAOYSA-N
XLogP2.36
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile (CID 56658479) is 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile is CN(CC#N)Cc1coc(-c2cccs2)n1.
What is the InChIKey of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile?
The InChIKey is LCTVWNMNLRSDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14(5-4-12)7-9-8-15-11(13-9)10-3-2-6-16-10/h2-3,6,8H,5,7H2,1H3.
What are the key properties of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile?
2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile has a molecular weight of 233.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetonitrile is sourced from PubChem (CID 56658479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).