N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C22H23N5O4 — CID 53064620

IUPACN-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1)c1ccco1
InChIInChI=1S/C22H23N5O4/c28-19(14-23-21(29)18-2-1-13-30-18)27-11-9-26(10-12-27)17-7-5-15(6-8-17)20-24-22(31-25-20)16-3-4-16/h1-2,5-8,13,16H,3-4,9-12,14H2,(H,23,29)
InChIKeyOGELEHRXNHFJDQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.29
Rot. Bonds6

About N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 53064620) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID53064620
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1)c1ccco1
InChIInChI=1S/C22H23N5O4/c28-19(14-23-21(29)18-2-1-13-30-18)27-11-9-26(10-12-27)17-7-5-15(6-8-17)20-24-22(31-25-20)16-3-4-16/h1-2,5-8,13,16H,3-4,9-12,14H2,(H,23,29)
InChIKeyOGELEHRXNHFJDQ-UHFFFAOYSA-N
XLogP2.29
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53064623
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53033606
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723591
N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide
CID 53023537
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 50780218
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53064640

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 53064620) is N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OGELEHRXNHFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c28-19(14-23-21(29)18-2-1-13-30-18)27-11-9-26(10-12-27)17-7-5-15(6-8-17)20-24-22(31-25-20)16-3-4-16/h1-2,5-8,13,16H,3-4,9-12,14H2,(H,23,29).
What are the key properties of N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 53064620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).