N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide

C21H23N3O5 — CID 128962603

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCCc1nc(-c3ccco3)no1)CC2
InChIInChI=1S/C21H23N3O5/c1-26-17-11-13-8-9-15(14(13)12-18(17)27-2)22-19(25)6-3-7-20-23-21(24-29-20)16-5-4-10-28-16/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25)
InChIKeyYPJHRLYUCVBAAG-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.47
Rot. Bonds8

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 128962603) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID128962603
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCCc1nc(-c3ccco3)no1)CC2
InChIInChI=1S/C21H23N3O5/c1-26-17-11-13-8-9-15(14(13)12-18(17)27-2)22-19(25)6-3-7-20-23-21(24-29-20)16-5-4-10-28-16/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25)
InChIKeyYPJHRLYUCVBAAG-UHFFFAOYSA-N
XLogP3.47
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
CID 125429552
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 125432396
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 50953070
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide (CID 128962603) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide is COc1cc2c(cc1OC)C(NC(=O)CCCc1nc(-c3ccco3)no1)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is YPJHRLYUCVBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-17-11-13-8-9-15(14(13)12-18(17)27-2)22-19(25)6-3-7-20-23-21(24-29-20)16-5-4-10-28-16/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 397.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 128962603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).