(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid

C24H25N5O3 — CID 39313747

IUPAC(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
SMILESCc1nonc1CN1CCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1
InChIInChI=1S/C24H25N5O3/c1-16-20(27-32-26-16)15-28-11-13-29(14-12-28)23(24(30)31)21-18-9-5-6-10-19(18)25-22(21)17-7-3-2-4-8-17/h2-10,23,25H,11-15H2,1H3,(H,30,31)/t23-/m1/s1
InChIKeyGPPRASUBZYJBME-HSZRJFAPSA-N
MW431.50 g/mol
LogP3.47
Rot. Bonds6

About (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid

(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid (PubChem CID 39313747) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
PubChem CID39313747
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
SMILESCc1nonc1CN1CCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1
InChIInChI=1S/C24H25N5O3/c1-16-20(27-32-26-16)15-28-11-13-29(14-12-28)23(24(30)31)21-18-9-5-6-10-19(18)25-22(21)17-7-3-2-4-8-17/h2-10,23,25H,11-15H2,1H3,(H,30,31)/t23-/m1/s1
InChIKeyGPPRASUBZYJBME-HSZRJFAPSA-N
XLogP3.47
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
CID 42653216
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
CID 42651593
2-(6-fluoro-1H-indol-3-yl)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 42654987
1-benzyl-3-[(R)-carboxy-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]indole-6-carboxylic acid
CID 51717346
(2R)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid
CID 29132189
2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid
CID 42651553
2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42649468
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42651642
2-(2-methyl-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 42650021
2-(1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 42656182
3-methyl-4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-1,2,5-oxadiazole
CID 135108679

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid?
The IUPAC name of (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid (CID 39313747) is (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid is Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1.
What is the InChIKey of (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid?
The InChIKey is GPPRASUBZYJBME-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-20(27-32-26-16)15-28-11-13-29(14-12-28)23(24(30)31)21-18-9-5-6-10-19(18)25-22(21)17-7-3-2-4-8-17/h2-10,23,25H,11-15H2,1H3,(H,30,31)/t23-/m1/s1.
What are the key properties of (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid?
(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid has a molecular weight of 431.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 39313747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).