N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H19N5O4S — CID 53185647

IUPACN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1nccnc1N1CCC(NS(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C14H19N5O4S/c1-9-12(10(2)23-17-9)24(20,21)18-11-4-7-19(8-11)13-14(22-3)16-6-5-15-13/h5-6,11,18H,4,7-8H2,1-3H3
InChIKeyOBVMEJXULCRCLD-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.65
Rot. Bonds5

About N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 53185647) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID53185647
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1nccnc1N1CCC(NS(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C14H19N5O4S/c1-9-12(10(2)23-17-9)24(20,21)18-11-4-7-19(8-11)13-14(22-3)16-6-5-15-13/h5-6,11,18H,4,7-8H2,1-3H3
InChIKeyOBVMEJXULCRCLD-UHFFFAOYSA-N
XLogP0.65
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1,2-oxazole-4-sulfonamide
CID 108565222
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7048976
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 95107609
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 53185647) is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1nccnc1N1CCC(NS(=O)(=O)c2c(C)noc2C)C1.
What is the InChIKey of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OBVMEJXULCRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-9-12(10(2)23-17-9)24(20,21)18-11-4-7-19(8-11)13-14(22-3)16-6-5-15-13/h5-6,11,18H,4,7-8H2,1-3H3.
What are the key properties of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53185647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).