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

C16H19N3O4S — CID 56747164

IUPACN-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C16H19N3O4S/c1-11(18-24(2,21)22)16(20)19-9-8-14-13(10-19)15(17-23-14)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3
InChIKeyJJQXSNQQQXHDIO-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.16
Rot. Bonds4

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

N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide (PubChem CID 56747164) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide
PubChem CID56747164
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C16H19N3O4S/c1-11(18-24(2,21)22)16(20)19-9-8-14-13(10-19)15(17-23-14)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3
InChIKeyJJQXSNQQQXHDIO-UHFFFAOYSA-N
XLogP1.16
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95212543
(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 29022575
(2-methylsulfanylphenyl)-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 25450039
3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 56749090
(2R)-N-methyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95394249
1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one
CID 56739972
(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95201830
(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56744273
(2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 95227255
(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 95209327
[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 42245741
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide (CID 56747164) is N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CCc2onc(-c3ccccc3)c2C1.
What is the InChIKey of N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide?
The InChIKey is JJQXSNQQQXHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(18-24(2,21)22)16(20)19-9-8-14-13(10-19)15(17-23-14)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3.
What are the key properties of N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide?
N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 56747164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).