3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C19H18FN3O3S — CID 166365817

IUPAC3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESO=S(=O)(NC1(Cc2cccc(F)c2)CC1)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C19H18FN3O3S/c20-14-3-1-2-12(8-14)10-19(6-7-19)23-27(24,25)15-9-16-17(13-4-5-13)22-26-18(16)21-11-15/h1-3,8-9,11,13,23H,4-7,10H2
InChIKeyWQTZFJHIEISCGN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.29
Rot. Bonds6

About 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 166365817) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID166365817
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESO=S(=O)(NC1(Cc2cccc(F)c2)CC1)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C19H18FN3O3S/c20-14-3-1-2-12(8-14)10-19(6-7-19)23-27(24,25)15-9-16-17(13-4-5-13)22-26-18(16)21-11-15/h1-3,8-9,11,13,23H,4-7,10H2
InChIKeyWQTZFJHIEISCGN-UHFFFAOYSA-N
XLogP3.29
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931700
3-Methyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 47003044
2-fluoro-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53143380
5-(4,4-Dimethylazepan-1-yl)sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 71997371
3-Methyl-5-[(4-propyl-1,4-diazepan-1-yl)sulfonyl]-[1,2]oxazolo[5,4-b]pyridine
CID 72008769
5-[(4-Ethyl-1,4-diazepan-1-yl)sulfonyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 72023087
5-(3-Ethylpiperidin-1-yl)sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 72024685
3-Cyclopropyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 71757015
3-Ethyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 71757016
3-Phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
CID 71757017
3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25521651
[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 33089162

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 166365817) is 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is O=S(=O)(NC1(Cc2cccc(F)c2)CC1)c1cnc2onc(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is WQTZFJHIEISCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-14-3-1-2-12(8-14)10-19(6-7-19)23-27(24,25)15-9-16-17(13-4-5-13)22-26-18(16)21-11-15/h1-3,8-9,11,13,23H,4-7,10H2.
What are the key properties of 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 166365817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).