7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide

C19H15ClN4O2 — CID 16677438

IUPAC7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2noc(-c3ccccc3)n2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H15ClN4O2/c1-11-13-8-5-9-14(20)17(13)23-16(11)18(25)21-10-15-22-19(26-24-15)12-6-3-2-4-7-12/h2-9,23H,10H2,1H3,(H,21,25)
InChIKeyVLKBXZFSQPROID-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.11
Rot. Bonds4

About 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide

7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 16677438) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID16677438
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2noc(-c3ccccc3)n2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H15ClN4O2/c1-11-13-8-5-9-14(20)17(13)23-16(11)18(25)21-10-15-22-19(26-24-15)12-6-3-2-4-7-12/h2-9,23H,10H2,1H3,(H,21,25)
InChIKeyVLKBXZFSQPROID-UHFFFAOYSA-N
XLogP4.11
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
CID 44534270
2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N-ethyl-N-methylethanamine
CID 136043779
2-(2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)ethoxy)-N,N-dimethylethanamine
CID 136043780
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethyl)-1H-indole
CID 136043781
(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylmethanamine
CID 136043782
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(4-methylpiperazin-1-yl)-1H-indole
CID 136043786
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(1-methylpiperidin-4-yl)-1H-indole
CID 136043788
3-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylpropan-1-amine
CID 136043790
2-(2-(3-(4-chlorobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
CID 136043817
2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
CID 136043819
2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-6-yl)-N,N-dimethylethanamine
CID 136043777
2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-7-yl)-N,N-dimethylethanamine
CID 136043778

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide (CID 16677438) is 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2noc(-c3ccccc3)n2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is VLKBXZFSQPROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-13-8-5-9-14(20)17(13)23-16(11)18(25)21-10-15-22-19(26-24-15)12-6-3-2-4-7-12/h2-9,23H,10H2,1H3,(H,21,25).
What are the key properties of 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 16677438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).