2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C18H22N4O3 — CID 126924723

IUPAC2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1nc(C(=O)N2CCCC2Cn2nc3c(cc2=O)CCCC3)co1
InChIInChI=1S/C18H22N4O3/c1-12-19-16(11-25-12)18(24)21-8-4-6-14(21)10-22-17(23)9-13-5-2-3-7-15(13)20-22/h9,11,14H,2-8,10H2,1H3
InChIKeyNNEXIYBILSKHTI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.72
Rot. Bonds3

About 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924723) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924723
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1nc(C(=O)N2CCCC2Cn2nc3c(cc2=O)CCCC3)co1
InChIInChI=1S/C18H22N4O3/c1-12-19-16(11-25-12)18(24)21-8-4-6-14(21)10-22-17(23)9-13-5-2-3-7-15(13)20-22/h9,11,14H,2-8,10H2,1H3
InChIKeyNNEXIYBILSKHTI-UHFFFAOYSA-N
XLogP1.72
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924639
2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924654
2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924276
3-methyl-5-[2-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126924289
2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280
2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924275
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925488
2-[[1-(1H-indole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924717
2-[[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925085
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925008
2-[[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925277

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924723) is 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1nc(C(=O)N2CCCC2Cn2nc3c(cc2=O)CCCC3)co1.
What is the InChIKey of 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is NNEXIYBILSKHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-19-16(11-25-12)18(24)21-8-4-6-14(21)10-22-17(23)9-13-5-2-3-7-15(13)20-22/h9,11,14H,2-8,10H2,1H3.
What are the key properties of 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 342.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).