N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C17H19ClN4O3S — CID 120876503

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)NCc3ccc4c(c3)CNC4)cc12.Cl
InChIInChI=1S/C17H18N4O3S.ClH/c1-2-16-15-6-14(10-19-17(15)24-21-16)25(22,23)20-7-11-3-4-12-8-18-9-13(12)5-11;/h3-6,10,18,20H,2,7-9H2,1H3;1H
InChIKeyMENJQBZFJGNONK-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.29
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 120876503) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID120876503
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)NCc3ccc4c(c3)CNC4)cc12.Cl
InChIInChI=1S/C17H18N4O3S.ClH/c1-2-16-15-6-14(10-19-17(15)24-21-16)25(22,23)20-7-11-3-4-12-8-18-9-13(12)5-11;/h3-6,10,18,20H,2,7-9H2,1H3;1H
InChIKeyMENJQBZFJGNONK-UHFFFAOYSA-N
XLogP2.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120875459
N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415
3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120877205
4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride
CID 120724244
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-5-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120724268
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
CID 120724092
4-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-N,2-dimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120876482
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 120724251
3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 75522790
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 120876503) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is CCc1noc2ncc(S(=O)(=O)NCc3ccc4c(c3)CNC4)cc12.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is MENJQBZFJGNONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S.ClH/c1-2-16-15-6-14(10-19-17(15)24-21-16)25(22,23)20-7-11-3-4-12-8-18-9-13(12)5-11;/h3-6,10,18,20H,2,7-9H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 394.88 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120876503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).