2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide

C18H22N4O2 — CID 94817594

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(C)[C@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H22N4O2/c1-12(2)16(20-15(23)10-13-6-3-4-7-13)18-21-17(22-24-18)14-8-5-9-19-11-14/h3,5-6,8-9,11-13,16H,4,7,10H2,1-2H3,(H,20,23)/t13-,16-/m0/s1
InChIKeyLOYBQDLITQWXJJ-BBRMVZONSA-N
MW326.40 g/mol
LogP3.30
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide (PubChem CID 94817594) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
PubChem CID94817594
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(C)[C@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H22N4O2/c1-12(2)16(20-15(23)10-13-6-3-4-7-13)18-21-17(22-24-18)14-8-5-9-19-11-14/h3,5-6,8-9,11-13,16H,4,7,10H2,1-2H3,(H,20,23)/t13-,16-/m0/s1
InChIKeyLOYBQDLITQWXJJ-BBRMVZONSA-N
XLogP3.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 51107775
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 94813254
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56510323
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97239105
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 56580120
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 51133640
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52517954
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide (CID 94817594) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide is CC(C)[C@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The InChIKey is LOYBQDLITQWXJJ-BBRMVZONSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)16(20-15(23)10-13-6-3-4-7-13)18-21-17(22-24-18)14-8-5-9-19-11-14/h3,5-6,8-9,11-13,16H,4,7,10H2,1-2H3,(H,20,23)/t13-,16-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 94817594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).