N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide

C22H24N4O5 — CID 91915642

IUPACN-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide
SMILESCOCCc1noc(C2Cc3ccccc3N2C(=O)Nc2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C22H24N4O5/c1-28-9-8-20-24-21(31-25-20)19-10-14-6-4-5-7-18(14)26(19)22(27)23-15-11-16(29-2)13-17(12-15)30-3/h4-7,11-13,19H,8-10H2,1-3H3,(H,23,27)
InChIKeyXKAFMAHQPCHHOB-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.61
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide

N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 91915642) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID91915642
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide
SMILESCOCCc1noc(C2Cc3ccccc3N2C(=O)Nc2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C22H24N4O5/c1-28-9-8-20-24-21(31-25-20)19-10-14-6-4-5-7-18(14)26(19)22(27)23-15-11-16(29-2)13-17(12-15)30-3/h4-7,11-13,19H,8-10H2,1-3H3,(H,23,27)
InChIKeyXKAFMAHQPCHHOB-UHFFFAOYSA-N
XLogP3.61
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
CID 91924552
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
CID 91905815
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72843680
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-6-ylpiperidine-1-carboxamide
CID 97282653
N-(2-methylpropyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
CID 110875878
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 110876591
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)-2,3-dihydroindole-1-carboxamide
CID 91915633
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
N-(3,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089866
N-(2-chloro-6-methylphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72916410

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide (CID 91915642) is N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide is COCCc1noc(C2Cc3ccccc3N2C(=O)Nc2cc(OC)cc(OC)c2)n1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is XKAFMAHQPCHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-28-9-8-20-24-21(31-25-20)19-10-14-6-4-5-7-18(14)26(19)22(27)23-15-11-16(29-2)13-17(12-15)30-3/h4-7,11-13,19H,8-10H2,1-3H3,(H,23,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide?
N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 91915642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).