(3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

C18H19N3O5 — CID 120683267

IUPAC(3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)no2)c1
InChIInChI=1S/C18H19N3O5/c1-25-13-6-2-4-11(8-13)15-19-14(20-26-15)16(22)21-9-12-5-3-7-18(12,10-21)17(23)24/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,23,24)/t12-,18+/m0/s1
InChIKeyMJYSJBQLPFQUKD-KPZWWZAWSA-N
MW357.37 g/mol
LogP2.07
Rot. Bonds4

About (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

(3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (PubChem CID 120683267) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
PubChem CID120683267
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)no2)c1
InChIInChI=1S/C18H19N3O5/c1-25-13-6-2-4-11(8-13)15-19-14(20-26-15)16(22)21-9-12-5-3-7-18(12,10-21)17(23)24/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,23,24)/t12-,18+/m0/s1
InChIKeyMJYSJBQLPFQUKD-KPZWWZAWSA-N
XLogP2.07
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-2-(2-bromo-5-methoxybenzoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682504
(3aS,6aR)-2-[(3-methoxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073446
(3aS,6aR)-2-[2-(3-methoxyphenyl)sulfanylacetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683913
(3S,4S)-1-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950186
(3aS,6aR)-2-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682919
(3aS,6aR)-2-(3-pyridin-4-yloxybenzoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682107
(3aS,6aR)-2-[(2-bromo-5-methoxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122078574
(3aS,6aR)-2-(3-phenyl-1H-pyrazole-5-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682869
(3aS,6aR)-2-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086530
(3aS,6aR)-2-(3-iodobenzoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120684033
(3aS,6aR)-2-[3-(carbamoylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683185
(3aS,6aR)-2-(3-methylsulfonylbenzoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682004

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (CID 120683267) is (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is COc1cccc(-c2nc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)no2)c1.
What is the InChIKey of (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The InChIKey is MJYSJBQLPFQUKD-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-13-6-2-4-11(8-13)15-19-14(20-26-15)16(22)21-9-12-5-3-7-18(12,10-21)17(23)24/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,23,24)/t12-,18+/m0/s1.
What are the key properties of (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
(3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 120683267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).