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

C15H22N4O3S — CID 56920179

IUPAC3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole
SMILESCCn1cc(S(=O)(=O)N2CCCCCC2c2cc(C)on2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-11-13(10-16-18)23(20,21)19-8-6-4-5-7-15(19)14-9-12(2)22-17-14/h9-11,15H,3-8H2,1-2H3
InChIKeyGDGJOQQUAAVHNK-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.51
Rot. Bonds4

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

3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole (PubChem CID 56920179) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole
PubChem CID56920179
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole
SMILESCCn1cc(S(=O)(=O)N2CCCCCC2c2cc(C)on2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-11-13(10-16-18)23(20,21)19-8-6-4-5-7-15(19)14-9-12(2)22-17-14/h9-11,15H,3-8H2,1-2H3
InChIKeyGDGJOQQUAAVHNK-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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole (CID 56920179) is 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole is CCn1cc(S(=O)(=O)N2CCCCCC2c2cc(C)on2)cn1.
What is the InChIKey of 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is GDGJOQQUAAVHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-18-11-13(10-16-18)23(20,21)19-8-6-4-5-7-15(19)14-9-12(2)22-17-14/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole?
3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-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 3-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56920179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).