(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C19H25N5O2 — CID 72847059

IUPAC(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2
InChIInChI=1S/C19H25N5O2/c25-18(21-8-13-5-6-16-17(7-13)23-26-22-16)19-11-20-9-14(19)10-24(12-19)15-3-1-2-4-15/h5-7,14-15,20H,1-4,8-12H2,(H,21,25)/t14-,19-/m1/s1
InChIKeyQLOOUGWRGGDTIF-AUUYWEPGSA-N
MW355.44 g/mol
LogP1.30
Rot. Bonds4

About (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 72847059) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID72847059
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2
InChIInChI=1S/C19H25N5O2/c25-18(21-8-13-5-6-16-17(7-13)23-26-22-16)19-11-20-9-14(19)10-24(12-19)15-3-1-2-4-15/h5-7,14-15,20H,1-4,8-12H2,(H,21,25)/t14-,19-/m1/s1
InChIKeyQLOOUGWRGGDTIF-AUUYWEPGSA-N
XLogP1.30
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 72847059) is (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is O=C(NCc1ccc2nonc2c1)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2.
What is the InChIKey of (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is QLOOUGWRGGDTIF-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-18(21-8-13-5-6-16-17(7-13)23-26-22-16)19-11-20-9-14(19)10-24(12-19)15-3-1-2-4-15/h5-7,14-15,20H,1-4,8-12H2,(H,21,25)/t14-,19-/m1/s1.
What are the key properties of (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 72847059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).