5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C19H22N4O3S — CID 169417864

IUPAC5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2oc(C(C)C)nc2C1
InChIInChI=1S/C19H22N4O3S/c1-13(2)19-21-16-12-22(10-7-17(16)26-19)27(24,25)18-11-15(6-5-14(18)3)23-9-4-8-20-23/h4-6,8-9,11,13H,7,10,12H2,1-3H3
InChIKeyHLMDHFZVHXCPFG-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.04
Rot. Bonds4

About 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169417864) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169417864
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2oc(C(C)C)nc2C1
InChIInChI=1S/C19H22N4O3S/c1-13(2)19-21-16-12-22(10-7-17(16)26-19)27(24,25)18-11-15(6-5-14(18)3)23-9-4-8-20-23/h4-6,8-9,11,13H,7,10,12H2,1-3H3
InChIKeyHLMDHFZVHXCPFG-UHFFFAOYSA-N
XLogP3.04
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
(4S,9aR)-4-cyclopropyl-8-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155493257
7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176504405
2-tert-butyl-5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 170507987
[(3aS,7aR)-2-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154812306
5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872831
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-pyrazol-1-ylbenzamide
CID 25443780
2-tert-butyl-5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 170510610
4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
CID 156607270
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504287
(2-methyl-4-phenyl-3-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419354
2H-benzotriazol-5-yl-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170507258

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 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) is 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2oc(C(C)C)nc2C1.
What is the InChIKey of 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is HLMDHFZVHXCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13(2)19-21-16-12-22(10-7-17(16)26-19)27(24,25)18-11-15(6-5-14(18)3)23-9-4-8-20-23/h4-6,8-9,11,13H,7,10,12H2,1-3H3.
What are the key properties of 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 386.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169417864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).