(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide

C26H33N5O2 — CID 30666744

IUPAC(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)NC[C@@H](C)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C26H33N5O2/c1-19-9-11-23(12-10-19)25-28-24(33-29-25)18-30-13-15-31(16-14-30)21(3)26(32)27-17-20(2)22-7-5-4-6-8-22/h4-12,20-21H,13-18H2,1-3H3,(H,27,32)/t20-,21+/m1/s1
InChIKeyHXERNWZAHRXKOF-RTWAWAEBSA-N
MW447.58 g/mol
LogP3.47
Rot. Bonds8

About (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide

(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 30666744) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID30666744
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)NC[C@@H](C)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C26H33N5O2/c1-19-9-11-23(12-10-19)25-28-24(33-29-25)18-30-13-15-31(16-14-30)21(3)26(32)27-17-20(2)22-7-5-4-6-8-22/h4-12,20-21H,13-18H2,1-3H3,(H,27,32)/t20-,21+/m1/s1
InChIKeyHXERNWZAHRXKOF-RTWAWAEBSA-N
XLogP3.47
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55541681
N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 42935584
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46405915
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134449
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 42956013
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
1-[1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 134042168
2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55701772
N-cyclopropyl-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46512485
(2R)-N-(1-adamantyl)-2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 30641420
N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55627920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide (CID 30666744) is (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide is Cc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)NC[C@@H](C)c4ccccc4)CC3)n2)cc1.
What is the InChIKey of (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is HXERNWZAHRXKOF-RTWAWAEBSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-19-9-11-23(12-10-19)25-28-24(33-29-25)18-30-13-15-31(16-14-30)21(3)26(32)27-17-20(2)22-7-5-4-6-8-22/h4-12,20-21H,13-18H2,1-3H3,(H,27,32)/t20-,21+/m1/s1.
What are the key properties of (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide?
(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 447.58 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 30666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).