N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H23FN4O2 — CID 46968502

IUPACN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccnc2)no1)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H23FN4O2/c23-18-7-3-6-17(13-18)22(10-1-2-11-22)15-25-19(28)8-9-20-26-21(27-29-20)16-5-4-12-24-14-16/h3-7,12-14H,1-2,8-11,15H2,(H,25,28)
InChIKeyOQFYBNDAELUEED-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.83
Rot. Bonds7

About N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46968502) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46968502
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccnc2)no1)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H23FN4O2/c23-18-7-3-6-17(13-18)22(10-1-2-11-22)15-25-19(28)8-9-20-26-21(27-29-20)16-5-4-12-24-14-16/h3-7,12-14H,1-2,8-11,15H2,(H,25,28)
InChIKeyOQFYBNDAELUEED-UHFFFAOYSA-N
XLogP3.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclohexyl)methyl]butanamide
CID 46453834
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CID 46417908
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55745710
N-(5-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459911
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 36803725
N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 46968502) is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccnc2)no1)NCC1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OQFYBNDAELUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-7-3-6-17(13-18)22(10-1-2-11-22)15-25-19(28)8-9-20-26-21(27-29-20)16-5-4-12-24-14-16/h3-7,12-14H,1-2,8-11,15H2,(H,25,28).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 394.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46968502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).