N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide

C14H19N5O3S — CID 110131563

IUPACN,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C14H19N5O3S/c1-18(2)23(20,21)19-5-3-11(10-19)7-12-8-17-13(9-16-12)14-15-4-6-22-14/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyVHWXYRVRVLQAKV-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.80
Rot. Bonds5

About N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide

N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 110131563) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID110131563
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C14H19N5O3S/c1-18(2)23(20,21)19-5-3-11(10-19)7-12-8-17-13(9-16-12)14-15-4-6-22-14/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyVHWXYRVRVLQAKV-UHFFFAOYSA-N
XLogP0.80
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Propan-2-ylpyrazin-2-yl)-1,3-oxazole
CID 58448977
2-(1-Methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)pyrazine
CID 73439979
2-[6-[(1-Methylsulfonylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131553
N,N-Dimethyl-3-{[6-(1,3-oxazol-2-YL)pyrazin-2-YL]methyl}pyrrolidine-1-sulfonamide
CID 110131554
2-[5-(1-Propan-2-ylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 110131555
N,N-Dimethyl-4-[5-(1,3-oxazol-2-YL)pyrazin-2-YL]piperidine-1-sulfonamide
CID 110131556
2-(5-Piperidin-3-ylpyrazin-2-yl)-1,3-oxazole
CID 110131557
2-(1-Methanesulfonylpiperidin-3-YL)-5-(1,3-oxazol-2-YL)pyrazine
CID 110131558
2-[6-[(1-Methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131559
2-[(1-Methanesulfonylpiperidin-3-YL)methyl]-6-(1,3-oxazol-2-YL)pyrazine
CID 110131560
1-(4-{[5-(1,3-Oxazol-2-YL)pyrazin-2-YL]methyl}piperidin-1-YL)ethanone
CID 110131561
2-[5-[(1-Propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131562

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 110131563) is N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3ncco3)cn2)C1.
What is the InChIKey of N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is VHWXYRVRVLQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-18(2)23(20,21)19-5-3-11(10-19)7-12-8-17-13(9-16-12)14-15-4-6-22-14/h4,6,8-9,11H,3,5,7,10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110131563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).