methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate

C17H19N5O4 — CID 167866988

IUPACmethyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
SMILESCOC(=O)c1c(N2CCN(C(=O)c3cnco3)CC2)nnc2c1CCC2
InChIInChI=1S/C17H19N5O4/c1-25-17(24)14-11-3-2-4-12(11)19-20-15(14)21-5-7-22(8-6-21)16(23)13-9-18-10-26-13/h9-10H,2-8H2,1H3
InChIKeyGHEDKHXZTLDSGJ-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.70
Rot. Bonds3

About methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate

methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate (PubChem CID 167866988) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
PubChem CID167866988
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Namemethyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
SMILESCOC(=O)c1c(N2CCN(C(=O)c3cnco3)CC2)nnc2c1CCC2
InChIInChI=1S/C17H19N5O4/c1-25-17(24)14-11-3-2-4-12(11)19-20-15(14)21-5-7-22(8-6-21)16(23)13-9-18-10-26-13/h9-10H,2-8H2,1H3
InChIKeyGHEDKHXZTLDSGJ-UHFFFAOYSA-N
XLogP0.70
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate with MolForge

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Related Compounds

methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 131335011
1,4-diazepan-1-yl(1,3-oxazol-5-yl)methanone
CID 83617619
methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 115018976
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122281108
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 119105973
N-cyclopropyl-4-methoxy-2-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxybenzamide
CID 72864995
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
2-[4-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131948314
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846134
1-ethyl-3-[4-[4-morpholin-4-yl-7-(1,3-oxazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea;methane
CID 157382790
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846146
1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone
CID 170027239

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
The IUPAC name of methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate (CID 167866988) is methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
The canonical SMILES for methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate is COC(=O)c1c(N2CCN(C(=O)c3cnco3)CC2)nnc2c1CCC2.
What is the InChIKey of methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
The InChIKey is GHEDKHXZTLDSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-25-17(24)14-11-3-2-4-12(11)19-20-15(14)21-5-7-22(8-6-21)16(23)13-9-18-10-26-13/h9-10H,2-8H2,1H3.
What are the key properties of methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate?
methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate is sourced from PubChem (CID 167866988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).