3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine

C17H18N4O4S — CID 75507090

IUPAC3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(Oc4cccnc4)C3)cc12
InChIInChI=1S/C17H18N4O4S/c1-2-16-15-8-14(10-19-17(15)25-20-16)26(22,23)21-7-5-13(11-21)24-12-4-3-6-18-9-12/h3-4,6,8-10,13H,2,5,7,11H2,1H3
InChIKeyDIJLLTCBLTZQNT-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.02
Rot. Bonds5

About 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine

3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 75507090) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID75507090
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(Oc4cccnc4)C3)cc12
InChIInChI=1S/C17H18N4O4S/c1-2-16-15-8-14(10-19-17(15)25-20-16)26(22,23)21-7-5-13(11-21)24-12-4-3-6-18-9-12/h3-4,6,8-10,13H,2,5,7,11H2,1H3
InChIKeyDIJLLTCBLTZQNT-UHFFFAOYSA-N
XLogP2.02
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120877024
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 129325738
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-ethyl-5-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 129335470
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine (CID 75507090) is 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine is CCc1noc2ncc(S(=O)(=O)N3CCC(Oc4cccnc4)C3)cc12.
What is the InChIKey of 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is DIJLLTCBLTZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-2-16-15-8-14(10-19-17(15)25-20-16)26(22,23)21-7-5-13(11-21)24-12-4-3-6-18-9-12/h3-4,6,8-10,13H,2,5,7,11H2,1H3.
What are the key properties of 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 374.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 75507090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).