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

C21H23N3O4 — CID 55810269

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C21H23N3O4/c25-19(11-12-20-23-21(24-28-20)18-10-5-13-26-18)22-14-15-6-1-4-9-17(15)27-16-7-2-3-8-16/h1,4-6,9-10,13,16H,2-3,7-8,11-12,14H2,(H,22,25)
InChIKeyXTNSAVNFUZMIFD-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.90
Rot. Bonds8

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

N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55810269) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55810269
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccco2)no1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C21H23N3O4/c25-19(11-12-20-23-21(24-28-20)18-10-5-13-26-18)22-14-15-6-1-4-9-17(15)27-16-7-2-3-8-16/h1,4-6,9-10,13,16H,2-3,7-8,11-12,14H2,(H,22,25)
InChIKeyXTNSAVNFUZMIFD-UHFFFAOYSA-N
XLogP3.90
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36604713
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 36803725
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 95573579
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110888709
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55745710
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2987891

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55810269) is N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccco2)no1)NCc1ccccc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is XTNSAVNFUZMIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19(11-12-20-23-21(24-28-20)18-10-5-13-26-18)22-14-15-6-1-4-9-17(15)27-16-7-2-3-8-16/h1,4-6,9-10,13,16H,2-3,7-8,11-12,14H2,(H,22,25).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55810269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).