[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone

C18H23N5O2 — CID 110139155

IUPAC[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)no1
InChIInChI=1S/C18H23N5O2/c1-3-13-9-15(21-25-13)18(24)23-10-12-6-7-16(14(12)11-23)22(2)17-5-4-8-19-20-17/h4-5,8-9,12,14,16H,3,6-7,10-11H2,1-2H3/t12-,14+,16-/m1/s1
InChIKeyFMYXYJZYHMFXJU-IVMMDQJWSA-N
MW341.42 g/mol
LogP2.01
Rot. Bonds4

About [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone

[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (PubChem CID 110139155) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
PubChem CID110139155
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)no1
InChIInChI=1S/C18H23N5O2/c1-3-13-9-15(21-25-13)18(24)23-10-12-6-7-16(14(12)11-23)22(2)17-5-4-8-19-20-17/h4-5,8-9,12,14,16H,3,6-7,10-11H2,1-2H3/t12-,14+,16-/m1/s1
InChIKeyFMYXYJZYHMFXJU-IVMMDQJWSA-N
XLogP2.01
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (CID 110139155) is [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is CCc1cc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)no1.
What is the InChIKey of [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FMYXYJZYHMFXJU-IVMMDQJWSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-13-9-15(21-25-13)18(24)23-10-12-6-7-16(14(12)11-23)22(2)17-5-4-8-19-20-17/h4-5,8-9,12,14,16H,3,6-7,10-11H2,1-2H3/t12-,14+,16-/m1/s1.
What are the key properties of [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110139155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).