(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one

C19H26N4O3 — CID 129325536

IUPAC(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-22-9-13(8-16(22)24)17(25)23-10-14-3-2-6-19(14,11-23)18-20-15(21-26-18)7-12-4-5-12/h12-14H,2-11H2,1H3/t13-,14+,19+/m0/s1
InChIKeyZNYSNYZFQFTZMA-IQUTYRLHSA-N
MW358.44 g/mol
LogP1.38
Rot. Bonds4

About (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one

(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 129325536) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID129325536
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-22-9-13(8-16(22)24)17(25)23-10-14-3-2-6-19(14,11-23)18-20-15(21-26-18)7-12-4-5-12/h12-14H,2-11H2,1H3/t13-,14+,19+/m0/s1
InChIKeyZNYSNYZFQFTZMA-IQUTYRLHSA-N
XLogP1.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one (CID 129325536) is (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one is CN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1=O.
What is the InChIKey of (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is ZNYSNYZFQFTZMA-IQUTYRLHSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22-9-13(8-16(22)24)17(25)23-10-14-3-2-6-19(14,11-23)18-20-15(21-26-18)7-12-4-5-12/h12-14H,2-11H2,1H3/t13-,14+,19+/m0/s1.
What are the key properties of (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one?
(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 129325536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).