2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide

C23H30N4O2 — CID 128968570

IUPAC2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1
InChIInChI=1S/C23H30N4O2/c1-15-5-3-6-16(2)21(15)25-20(28)13-27-12-18-7-4-10-23(18,14-27)22-24-19(26-29-22)11-17-8-9-17/h3,5-6,17-18H,4,7-14H2,1-2H3,(H,25,28)/t18-,23-/m1/s1
InChIKeyVVIFQLIXDDCASW-WZONZLPQSA-N
MW394.52 g/mol
LogP3.63
Rot. Bonds6

About 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide

2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 128968570) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID128968570
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1
InChIInChI=1S/C23H30N4O2/c1-15-5-3-6-16(2)21(15)25-20(28)13-27-12-18-7-4-10-23(18,14-27)22-24-19(26-29-22)11-17-8-9-17/h3,5-6,17-18H,4,7-14H2,1-2H3,(H,25,28)/t18-,23-/m1/s1
InChIKeyVVIFQLIXDDCASW-WZONZLPQSA-N
XLogP3.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

(E)-1-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 128968873
(3aS,6aR)-2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680039
4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxylic acid
CID 154762917
2-[(3aS,6aS)-3a-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 128967654
1-[(3aS,6aS)-3a-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2-dimethylpropan-1-one
CID 128968177
5-[(3aS,6aS)-2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-benzyl-1,2,4-oxadiazole
CID 128967221
N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 167289629
1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 128966010
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
5-[(3aS,6aS)-2-[(1-propan-2-yltetrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-benzyl-1,2,4-oxadiazole
CID 128968211
4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
CID 128966757
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide (CID 128968570) is 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1.
What is the InChIKey of 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VVIFQLIXDDCASW-WZONZLPQSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15-5-3-6-16(2)21(15)25-20(28)13-27-12-18-7-4-10-23(18,14-27)22-24-19(26-29-22)11-17-8-9-17/h3,5-6,17-18H,4,7-14H2,1-2H3,(H,25,28)/t18-,23-/m1/s1.
What are the key properties of 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 128968570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).