N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C14H16N6O3S — CID 139023355

IUPACN-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1
InChIInChI=1S/C14H16N6O3S/c1-9-13(10(2)23-18-9)24(21,22)19(3)11-7-20(8-11)14-12(6-15)16-4-5-17-14/h4-5,11H,7-8H2,1-3H3
InChIKeyZUEQAETUMQGEEO-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.46
Rot. Bonds4

About N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 139023355) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID139023355
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC NameN-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1
InChIInChI=1S/C14H16N6O3S/c1-9-13(10(2)23-18-9)24(21,22)19(3)11-7-20(8-11)14-12(6-15)16-4-5-17-14/h4-5,11H,7-8H2,1-3H3
InChIKeyZUEQAETUMQGEEO-UHFFFAOYSA-N
XLogP0.46
TPSA116.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 139023653
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285
N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
CID 34136811
N-cyclopropyl-3,5-dimethyl-N-pyridin-2-yl-1,2-oxazole-4-sulfonamide
CID 110723188
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
3-[2-(methoxymethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 71996195
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47204629
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58624073
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
3-[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]pyrazine-2-carbonitrile
CID 129447030
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 114961799

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 139023355) is N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1.
What is the InChIKey of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZUEQAETUMQGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-9-13(10(2)23-18-9)24(21,22)19(3)11-7-20(8-11)14-12(6-15)16-4-5-17-14/h4-5,11H,7-8H2,1-3H3.
What are the key properties of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 348.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 139023355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).