N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C26H33N5O3 — CID 43048640

IUPACN-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(Cc2nc(C(C)C)no2)CC1
InChIInChI=1S/C26H33N5O3/c1-4-33-22-13-9-8-12-21(22)27-26(32)24(20-10-6-5-7-11-20)31-16-14-30(15-17-31)18-23-28-25(19(2)3)29-34-23/h5-13,19,24H,4,14-18H2,1-3H3,(H,27,32)
InChIKeyCQJHXSMOBWHIJD-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.09
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 43048640) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID43048640
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(Cc2nc(C(C)C)no2)CC1
InChIInChI=1S/C26H33N5O3/c1-4-33-22-13-9-8-12-21(22)27-26(32)24(20-10-6-5-7-11-20)31-16-14-30(15-17-31)18-23-28-25(19(2)3)29-34-23/h5-13,19,24H,4,14-18H2,1-3H3,(H,27,32)
InChIKeyCQJHXSMOBWHIJD-UHFFFAOYSA-N
XLogP4.09
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
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CID 8774504
(2R)-N-(2-ethoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30629328
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432413
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 52513026
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16599413
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 60511103

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 43048640) is N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(Cc2nc(C(C)C)no2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is CQJHXSMOBWHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-4-33-22-13-9-8-12-21(22)27-26(32)24(20-10-6-5-7-11-20)31-16-14-30(15-17-31)18-23-28-25(19(2)3)29-34-23/h5-13,19,24H,4,14-18H2,1-3H3,(H,27,32).
What are the key properties of N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43048640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).