3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole

C16H27N3O5S — CID 138056173

IUPAC3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCCCC1c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C16H27N3O5S/c1-3-12-25(20,21)19-9-5-4-6-13(19)14-17-15(18-24-14)16(22-2)7-10-23-11-8-16/h13H,3-12H2,1-2H3
InChIKeyMMMCQVVREUIPFB-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.99
Rot. Bonds6

About 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole

3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 138056173) has the molecular formula C16H27N3O5S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID138056173
Molecular FormulaC16H27N3O5S
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Name3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCCCC1c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C16H27N3O5S/c1-3-12-25(20,21)19-9-5-4-6-13(19)14-17-15(18-24-14)16(22-2)7-10-23-11-8-16/h13H,3-12H2,1-2H3
InChIKeyMMMCQVVREUIPFB-UHFFFAOYSA-N
XLogP1.99
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855240
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159
[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742134
5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689978
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116744092
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120852449
3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 164637253
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
3-(3-methylphenyl)-5-(1-octylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 3324124
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 104611970
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole (CID 138056173) is 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole is CCCS(=O)(=O)N1CCCCC1c1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is MMMCQVVREUIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S/c1-3-12-25(20,21)19-9-5-4-6-13(19)14-17-15(18-24-14)16(22-2)7-10-23-11-8-16/h13H,3-12H2,1-2H3.
What are the key properties of 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 373.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 138056173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).