5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole

C15H22N4O3S — CID 110215743

IUPAC5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
SMILESCCn1cc(S(=O)(=O)N2CCCCCC2c2cc(C)no2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-11-13(10-16-18)23(20,21)19-8-6-4-5-7-14(19)15-9-12(2)17-22-15/h9-11,14H,3-8H2,1-2H3
InChIKeyLBSKLQDLFQZFMV-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.51
Rot. Bonds4

About 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole

5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole (PubChem CID 110215743) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
PubChem CID110215743
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
SMILESCCn1cc(S(=O)(=O)N2CCCCCC2c2cc(C)no2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-11-13(10-16-18)23(20,21)19-8-6-4-5-7-14(19)15-9-12(2)17-22-15/h9-11,14H,3-8H2,1-2H3
InChIKeyLBSKLQDLFQZFMV-UHFFFAOYSA-N
XLogP2.51
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole (CID 110215743) is 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole is CCn1cc(S(=O)(=O)N2CCCCCC2c2cc(C)no2)cn1.
What is the InChIKey of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is LBSKLQDLFQZFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-18-11-13(10-16-18)23(20,21)19-8-6-4-5-7-14(19)15-9-12(2)17-22-15/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole?
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 338.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 110215743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).