N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

C21H22N4O4 — CID 53130338

IUPACN-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)c1
InChIInChI=1S/C21H22N4O4/c1-2-18(26)22-17-5-3-4-15(12-17)19-23-20(29-24-19)14-6-9-25(10-7-14)21(27)16-8-11-28-13-16/h3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,22,26)
InChIKeySBLZUWPGGBYCBI-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.70
Rot. Bonds5

About N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 53130338) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID53130338
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)c1
InChIInChI=1S/C21H22N4O4/c1-2-18(26)22-17-5-3-4-15(12-17)19-23-20(29-24-19)14-6-9-25(10-7-14)21(27)16-8-11-28-13-16/h3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,22,26)
InChIKeySBLZUWPGGBYCBI-UHFFFAOYSA-N
XLogP3.70
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 53130338) is N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)c1.
What is the InChIKey of N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is SBLZUWPGGBYCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-2-18(26)22-17-5-3-4-15(12-17)19-23-20(29-24-19)14-6-9-25(10-7-14)21(27)16-8-11-28-13-16/h3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,22,26).
What are the key properties of N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 394.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 53130338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).