N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

C23H25N5O4 — CID 44783721

IUPACN-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccccc2OC)C(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C23H25N5O4/c1-3-24-23(30)27-13-14-28(22(29)17-11-7-8-12-19(17)31-2)18(15-27)21-25-20(26-32-21)16-9-5-4-6-10-16/h4-12,18H,3,13-15H2,1-2H3,(H,24,30)
InChIKeyNNLIWZRIQSKVMB-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 44783721) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
PubChem CID44783721
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccccc2OC)C(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C23H25N5O4/c1-3-24-23(30)27-13-14-28(22(29)17-11-7-8-12-19(17)31-2)18(15-27)21-25-20(26-32-21)16-9-5-4-6-10-16/h4-12,18H,3,13-15H2,1-2H3,(H,24,30)
InChIKeyNNLIWZRIQSKVMB-UHFFFAOYSA-N
XLogP2.97
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226059
(2-ethoxyphenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91888643
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 1456549
1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 68688695
(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
methyl 2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 70718409
(2,4-dimethoxyphenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7416925
(2,4-dimethoxyphenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3356690
(4-chloro-2-methoxyphenyl)-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 78149388
(2,4-dimethoxyphenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (CID 44783721) is N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2ccccc2OC)C(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is NNLIWZRIQSKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-3-24-23(30)27-13-14-28(22(29)17-11-7-8-12-19(17)31-2)18(15-27)21-25-20(26-32-21)16-9-5-4-6-10-16/h4-12,18H,3,13-15H2,1-2H3,(H,24,30).
What are the key properties of N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxybenzoyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 44783721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).