3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide

C21H23N3O3 — CID 36803725

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23N3O3/c25-18(10-11-19-23-20(24-27-19)17-9-6-14-26-17)22-15-21(12-4-5-13-21)16-7-2-1-3-8-16/h1-3,6-9,14H,4-5,10-13,15H2,(H,22,25)
InChIKeyPSWMPLLXMGCQLQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.89
Rot. Bonds7

About 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 36803725) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID36803725
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23N3O3/c25-18(10-11-19-23-20(24-27-19)17-9-6-14-26-17)22-15-21(12-4-5-13-21)16-7-2-1-3-8-16/h1-3,6-9,14H,4-5,10-13,15H2,(H,22,25)
InChIKeyPSWMPLLXMGCQLQ-UHFFFAOYSA-N
XLogP3.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55745710
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
N-[(1-phenylcyclobutyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18139474
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559246
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclohexyl)methyl]butanamide
CID 46453834
N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55554755
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid
CID 119215122
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46968502
N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55810269

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 36803725) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide is O=C(CCc1nc(-c2ccco2)no1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is PSWMPLLXMGCQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-18(10-11-19-23-20(24-27-19)17-9-6-14-26-17)22-15-21(12-4-5-13-21)16-7-2-1-3-8-16/h1-3,6-9,14H,4-5,10-13,15H2,(H,22,25).
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 36803725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).