3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C18H20N4O4S — CID 42931700

IUPAC3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12
InChIInChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)
InChIKeyHRWBSXDFUWMVHN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.48
Rot. Bonds5

About 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 42931700) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID42931700
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12
InChIInChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)
InChIKeyHRWBSXDFUWMVHN-UHFFFAOYSA-N
XLogP2.48
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 42931700) is 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cc12.
What is the InChIKey of 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HRWBSXDFUWMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25).
What are the key properties of 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42931700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).