3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid

C24H23ClN4O5 — CID 44546704

IUPAC3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)N(C)CCC(=O)O)c[nH]c34)no2)cc1Cl
InChIInChI=1S/C24H23ClN4O5/c1-13(2)33-19-8-7-14(11-18(19)25)23-27-22(28-34-23)16-6-4-5-15-17(12-26-21(15)16)24(32)29(3)10-9-20(30)31/h4-8,11-13,26H,9-10H2,1-3H3,(H,30,31)
InChIKeySMOHWEGLYDEFTL-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.87
Rot. Bonds8

About 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid

3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid (PubChem CID 44546704) has the molecular formula C24H23ClN4O5 and a molecular weight of 482.92 g/mol. Its IUPAC name is 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid
PubChem CID44546704
Molecular FormulaC24H23ClN4O5
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Name3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)N(C)CCC(=O)O)c[nH]c34)no2)cc1Cl
InChIInChI=1S/C24H23ClN4O5/c1-13(2)33-19-8-7-14(11-18(19)25)23-27-22(28-34-23)16-6-4-5-15-17(12-26-21(15)16)24(32)29(3)10-9-20(30)31/h4-8,11-13,26H,9-10H2,1-3H3,(H,30,31)
InChIKeySMOHWEGLYDEFTL-UHFFFAOYSA-N
XLogP4.87
TPSA121.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]acetic acid
CID 44548575
methyl 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoate
CID 67025312
3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl]propanoic acid
CID 58222449
5-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]hexanoic acid
CID 67262076
5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 141211740
5-[3-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]pentan-2-one
CID 68635032
3-(3-bromo-2-methylphenyl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 67290027
3-[2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hydrazinyl]propanoic acid
CID 143701887
2-[3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]propoxy]acetic acid
CID 44546860
methyl 5-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]pentanoate
CID 67236113
3-[7-[5-[6-propan-2-yloxy-5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
CID 44547605
2-methylpropyl 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]propanoate
CID 67025228

Frequently Asked Questions

What is the IUPAC name of 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid (CID 44546704) is 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid is CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)N(C)CCC(=O)O)c[nH]c34)no2)cc1Cl.
What is the InChIKey of 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is SMOHWEGLYDEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O5/c1-13(2)33-19-8-7-14(11-18(19)25)23-27-22(28-34-23)16-6-4-5-15-17(12-26-21(15)16)24(32)29(3)10-9-20(30)31/h4-8,11-13,26H,9-10H2,1-3H3,(H,30,31).
What are the key properties of 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid?
3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 482.92 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 44546704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).