N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H24FN3O2 — CID 146039835

IUPACN-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC[C@H]1CC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C20H24FN3O2/c21-17-7-2-1-5-16(17)20-23-19(26-24-20)11-10-18(25)22-12-14-9-8-13-4-3-6-15(13)14/h1-2,5,7,13-15H,3-4,6,8-12H2,(H,22,25)/t13-,14+,15-/m0/s1
InChIKeyDQOVKFRSNXSQQN-ZNMIVQPWSA-N
MW357.43 g/mol
LogP3.75
Rot. Bonds6

About N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 146039835) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID146039835
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC[C@H]1CC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C20H24FN3O2/c21-17-7-2-1-5-16(17)20-23-19(26-24-20)11-10-18(25)22-12-14-9-8-13-4-3-6-15(13)14/h1-2,5,7,13-15H,3-4,6,8-12H2,(H,22,25)/t13-,14+,15-/m0/s1
InChIKeyDQOVKFRSNXSQQN-ZNMIVQPWSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide with MolForge

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Related Compounds

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3-cyclopentyl-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
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3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
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3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
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3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
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N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
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N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330758
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 156585056
N-[4-(dimethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 146039835) is N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NC[C@H]1CC[C@@H]2CCC[C@@H]21.
What is the InChIKey of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DQOVKFRSNXSQQN-ZNMIVQPWSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-7-2-1-5-16(17)20-23-19(26-24-20)11-10-18(25)22-12-14-9-8-13-4-3-6-15(13)14/h1-2,5,7,13-15H,3-4,6,8-12H2,(H,22,25)/t13-,14+,15-/m0/s1.
What are the key properties of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 146039835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).