[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate

C14H17N3O4S — CID 2742690

IUPAC[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(-c2noc(C3CCC3)n2)cc1
InChIInChI=1S/C14H17N3O4S/c1-17(2)22(18,19)21-12-8-6-10(7-9-12)13-15-14(20-16-13)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3
InChIKeyTYXAYCIKDKFNHF-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.19
Rot. Bonds5

About [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate

[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate (PubChem CID 2742690) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate
PubChem CID2742690
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(-c2noc(C3CCC3)n2)cc1
InChIInChI=1S/C14H17N3O4S/c1-17(2)22(18,19)21-12-8-6-10(7-9-12)13-15-14(20-16-13)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3
InChIKeyTYXAYCIKDKFNHF-UHFFFAOYSA-N
XLogP2.19
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate
CID 2742689
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838
3-(4-methoxyphenyl)-5-[(3R)-1-propylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456310
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
3-(4-methoxyphenyl)-5-[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 46096607
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate (CID 2742690) is [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1ccc(-c2noc(C3CCC3)n2)cc1.
What is the InChIKey of [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate?
The InChIKey is TYXAYCIKDKFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-17(2)22(18,19)21-12-8-6-10(7-9-12)13-15-14(20-16-13)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3.
What are the key properties of [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate?
[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate has a molecular weight of 323.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 2742690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).