6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H22N4O4S — CID 86812538

IUPAC6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)NCCNS(C)(=O)=O)c12
InChIInChI=1S/C16H22N4O4S/c1-3-4-12-14-11(15(21)17-7-8-18-25(2,22)23)9-13(10-5-6-10)19-16(14)24-20-12/h9-10,18H,3-8H2,1-2H3,(H,17,21)
InChIKeyVPSFLTHLGDEJRZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.33
Rot. Bonds8

About 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86812538) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86812538
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)NCCNS(C)(=O)=O)c12
InChIInChI=1S/C16H22N4O4S/c1-3-4-12-14-11(15(21)17-7-8-18-25(2,22)23)9-13(10-5-6-10)19-16(14)24-20-12/h9-10,18H,3-8H2,1-2H3,(H,17,21)
InChIKeyVPSFLTHLGDEJRZ-UHFFFAOYSA-N
XLogP1.33
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide 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 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 86812538) is 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCc1noc2nc(C3CC3)cc(C(=O)NCCNS(C)(=O)=O)c12.
What is the InChIKey of 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VPSFLTHLGDEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-3-4-12-14-11(15(21)17-7-8-18-25(2,22)23)9-13(10-5-6-10)19-16(14)24-20-12/h9-10,18H,3-8H2,1-2H3,(H,17,21).
What are the key properties of 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86812538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).