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

C13H19N3O — CID 62742459

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
SMILESCc1cc(CNC2CCCCCC2C#N)no1
InChIInChI=1S/C13H19N3O/c1-10-7-12(16-17-10)9-15-13-6-4-2-3-5-11(13)8-14/h7,11,13,15H,2-6,9H2,1H3
InChIKeyFJBXYBWCJOWPKV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.55
Rot. Bonds3

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

2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile (PubChem CID 62742459) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
PubChem CID62742459
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
SMILESCc1cc(CNC2CCCCCC2C#N)no1
InChIInChI=1S/C13H19N3O/c1-10-7-12(16-17-10)9-15-13-6-4-2-3-5-11(13)8-14/h7,11,13,15H,2-6,9H2,1H3
InChIKeyFJBXYBWCJOWPKV-UHFFFAOYSA-N
XLogP2.55
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile (CID 62742459) is 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile is Cc1cc(CNC2CCCCCC2C#N)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile?
The InChIKey is FJBXYBWCJOWPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-7-12(16-17-10)9-15-13-6-4-2-3-5-11(13)8-14/h7,11,13,15H,2-6,9H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile?
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 62742459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).