N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide

C20H23N5O3 — CID 72872766

IUPACN-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCc1noc(-c2cccc(NC(=O)N3CCN(Cc4ccco4)CC3)c2)n1
InChIInChI=1S/C20H23N5O3/c1-2-18-22-19(28-23-18)15-5-3-6-16(13-15)21-20(26)25-10-8-24(9-11-25)14-17-7-4-12-27-17/h3-7,12-13H,2,8-11,14H2,1H3,(H,21,26)
InChIKeyDAZHGJKINCTGGH-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide

N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 72872766) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID72872766
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCc1noc(-c2cccc(NC(=O)N3CCN(Cc4ccco4)CC3)c2)n1
InChIInChI=1S/C20H23N5O3/c1-2-18-22-19(28-23-18)15-5-3-6-16(13-15)21-20(26)25-10-8-24(9-11-25)14-17-7-4-12-27-17/h3-7,12-13H,2,8-11,14H2,1H3,(H,21,26)
InChIKeyDAZHGJKINCTGGH-UHFFFAOYSA-N
XLogP3.24
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
(9aS)-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438869
N-(3-ethylphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
CID 42692184
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
ethyl 1-[3-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 47042058
4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 17379875
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
tert-butyl N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 72872766) is N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide is CCc1noc(-c2cccc(NC(=O)N3CCN(Cc4ccco4)CC3)c2)n1.
What is the InChIKey of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is DAZHGJKINCTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-18-22-19(28-23-18)15-5-3-6-16(13-15)21-20(26)25-10-8-24(9-11-25)14-17-7-4-12-27-17/h3-7,12-13H,2,8-11,14H2,1H3,(H,21,26).
What are the key properties of N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 72872766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).