N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C16H23N5O3 — CID 42955008

IUPACN-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCc1noc(C(C)N2CCN(CCNC(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-12(16-18-13(2)19-24-16)21-9-7-20(8-10-21)6-5-17-15(22)14-4-3-11-23-14/h3-4,11-12H,5-10H2,1-2H3,(H,17,22)
InChIKeyOMEPWKUSIVMVQQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.08
Rot. Bonds6

About N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 42955008) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID42955008
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCc1noc(C(C)N2CCN(CCNC(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-12(16-18-13(2)19-24-16)21-9-7-20(8-10-21)6-5-17-15(22)14-4-3-11-23-14/h3-4,11-12H,5-10H2,1-2H3,(H,17,22)
InChIKeyOMEPWKUSIVMVQQ-UHFFFAOYSA-N
XLogP1.08
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95278550
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
2-[4-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanol
CID 94775707
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
CID 46457547
N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 30870859
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 42955008) is N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide is Cc1noc(C(C)N2CCN(CCNC(=O)c3ccco3)CC2)n1.
What is the InChIKey of N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is OMEPWKUSIVMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-12(16-18-13(2)19-24-16)21-9-7-20(8-10-21)6-5-17-15(22)14-4-3-11-23-14/h3-4,11-12H,5-10H2,1-2H3,(H,17,22).
What are the key properties of N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42955008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).