2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C14H17N3O3S — CID 169412615

IUPAC2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)c1nc2c(o1)CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C14H17N3O3S/c1-10(2)14-16-12-9-17(7-5-13(12)20-14)21(18,19)11-4-3-6-15-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyXXNMMTSFAYGWGJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.94
Rot. Bonds3

About 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169412615) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169412615
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)c1nc2c(o1)CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C14H17N3O3S/c1-10(2)14-16-12-9-17(7-5-13(12)20-14)21(18,19)11-4-3-6-15-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyXXNMMTSFAYGWGJ-UHFFFAOYSA-N
XLogP1.94
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169414423
5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169417864
2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523706
2-pyridin-3-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3725718
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one
CID 169410942
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
CID 63340805
5-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169422441
3-(4-fluoro-3-methylphenyl)-5-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 78896836

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169412615) is 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is CC(C)c1nc2c(o1)CCN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is XXNMMTSFAYGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10(2)14-16-12-9-17(7-5-13(12)20-14)21(18,19)11-4-3-6-15-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 307.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169412615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).