N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

C10H15N3O2S — CID 165472082

IUPACN,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
SMILESCN(C)C(=O)N1CCc2onc(CS)c2C1
InChIInChI=1S/C10H15N3O2S/c1-12(2)10(14)13-4-3-9-7(5-13)8(6-16)11-15-9/h16H,3-6H2,1-2H3
InChIKeyVUUGPGNYDIYFGT-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.14
Rot. Bonds1

About N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 165472082) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
PubChem CID165472082
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
SMILESCN(C)C(=O)N1CCc2onc(CS)c2C1
InChIInChI=1S/C10H15N3O2S/c1-12(2)10(14)13-4-3-9-7(5-13)8(6-16)11-15-9/h16H,3-6H2,1-2H3
InChIKeyVUUGPGNYDIYFGT-UHFFFAOYSA-N
XLogP1.14
TPSA49.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide (CID 165472082) is N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide is CN(C)C(=O)N1CCc2onc(CS)c2C1.
What is the InChIKey of N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is VUUGPGNYDIYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12(2)10(14)13-4-3-9-7(5-13)8(6-16)11-15-9/h16H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide?
N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 165472082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).