3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole

C15H16N4O3S — CID 126946494

IUPAC3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole
SMILESO=S(=O)(Cc1noc2ccccc12)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H16N4O3S/c20-23(21,11-14-13-4-1-2-5-15(13)22-17-14)18-9-6-12(10-18)19-8-3-7-16-19/h1-5,7-8,12H,6,9-11H2
InChIKeyNETSGIJASIZPJW-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.80
Rot. Bonds4

About 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole

3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole (PubChem CID 126946494) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole
PubChem CID126946494
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole
SMILESO=S(=O)(Cc1noc2ccccc12)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H16N4O3S/c20-23(21,11-14-13-4-1-2-5-15(13)22-17-14)18-9-6-12(10-18)19-8-3-7-16-19/h1-5,7-8,12H,6,9-11H2
InChIKeyNETSGIJASIZPJW-UHFFFAOYSA-N
XLogP1.80
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(1,2-benzoxazol-3-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120874490
2-(1,2-benzoxazol-3-yl)-1-(3-pyrazol-1-ylpyrrolidin-1-yl)ethanone
CID 126946357
(4aS,8aR)-6-(1,2-benzoxazol-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 124829189
3-(azepan-1-ylsulfonylmethyl)-1,2-benzoxazole
CID 90624413
3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylmethyl]-1,2-benzoxazole
CID 126893892
3-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]sulfonylmethyl]-1,2-benzoxazole
CID 97306613
1-(1,2-benzoxazol-3-ylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120875946
3-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]-1,2-benzoxazole
CID 90624418
3-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]-1,2-benzoxazole
CID 90624410
1-[1-(1,2-benzoxazol-3-ylmethylsulfonyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120875021
N-[1-(1,2-benzoxazol-3-ylmethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887251
3-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylmethyl]-1,2-benzoxazole
CID 121163472

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
The IUPAC name of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole (CID 126946494) is 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole is O=S(=O)(Cc1noc2ccccc12)N1CCC(n2cccn2)C1.
What is the InChIKey of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
The InChIKey is NETSGIJASIZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-23(21,11-14-13-4-1-2-5-15(13)22-17-14)18-9-6-12(10-18)19-8-3-7-16-19/h1-5,7-8,12H,6,9-11H2.
What are the key properties of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole?
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole has a molecular weight of 332.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-benzoxazole is sourced from PubChem (CID 126946494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).