N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide

C14H21N3O5S — CID 170510030

IUPACN-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C14H21N3O5S/c1-23(19,20)15-8-13(18)17-5-2-12-11(9-17)16-14(22-12)10-3-6-21-7-4-10/h10,15H,2-9H2,1H3
InChIKeyGECJIRALNCAVIK-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.00
Rot. Bonds4

About N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide

N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 170510030) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
PubChem CID170510030
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C14H21N3O5S/c1-23(19,20)15-8-13(18)17-5-2-12-11(9-17)16-14(22-12)10-3-6-21-7-4-10/h10,15H,2-9H2,1H3
InChIKeyGECJIRALNCAVIK-UHFFFAOYSA-N
XLogP0.00
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylsulfonylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418807
2-[4-(5-methyltetrazol-1-yl)phenyl]-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169418719
1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-4-pyrazol-1-ylbutan-1-one
CID 170504109
2-(4-fluorophenyl)-2-hydroxy-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170507538
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 169411230
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[4-(oxolan-3-yl)phenyl]methanone
CID 170505748
[5-(4-methylphenyl)furan-2-yl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420219
(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511578
[4-(hydroxymethyl)-2-pyridinyl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507140
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170507073
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-phenylphenyl)methanone
CID 169411084
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 170511702

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide (CID 170510030) is N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCc2oc(C3CCOCC3)nc2C1.
What is the InChIKey of N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is GECJIRALNCAVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-23(19,20)15-8-13(18)17-5-2-12-11(9-17)16-14(22-12)10-3-6-21-7-4-10/h10,15H,2-9H2,1H3.
What are the key properties of N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 170510030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).