3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C13H17N5O4S — CID 125178000

IUPAC3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2cccnc2)no1
InChIInChI=1S/C13H17N5O4S/c1-9(16-11(19)5-7-15-23(2,20)21)13-17-12(18-22-13)10-4-3-6-14-8-10/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,19)/t9-/m1/s1
InChIKeyXGDNTTFXVIBBLK-SECBINFHSA-N
MW339.38 g/mol
LogP0.25
Rot. Bonds7

About 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 125178000) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID125178000
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC Name3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2cccnc2)no1
InChIInChI=1S/C13H17N5O4S/c1-9(16-11(19)5-7-15-23(2,20)21)13-17-12(18-22-13)10-4-3-6-14-8-10/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,19)/t9-/m1/s1
InChIKeyXGDNTTFXVIBBLK-SECBINFHSA-N
XLogP0.25
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide with MolForge

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Related Compounds

N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide
CID 125163461
2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 136883298
1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide
CID 70788768
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576
2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide
CID 16673227
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 56580120
1-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 91767417

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 125178000) is 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is C[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2cccnc2)no1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is XGDNTTFXVIBBLK-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-9(16-11(19)5-7-15-23(2,20)21)13-17-12(18-22-13)10-4-3-6-14-8-10/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,16,19)/t9-/m1/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 339.38 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 125178000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).