N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide

C22H21ClN4O4 — CID 91905815

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2c3ccccc3CC2c2nc(C3CC3)no2)cc1Cl
InChIInChI=1S/C22H21ClN4O4/c1-29-18-11-19(30-2)15(10-14(18)23)24-22(28)27-16-6-4-3-5-13(16)9-17(27)21-25-20(26-31-21)12-7-8-12/h3-6,10-12,17H,7-9H2,1-2H3,(H,24,28)
InChIKeyOIXVMBXKDWWHOY-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.95
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 91905815) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID91905815
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2c3ccccc3CC2c2nc(C3CC3)no2)cc1Cl
InChIInChI=1S/C22H21ClN4O4/c1-29-18-11-19(30-2)15(10-14(18)23)24-22(28)27-16-6-4-3-5-13(16)9-17(27)21-25-20(26-31-21)12-7-8-12/h3-6,10-12,17H,7-9H2,1-2H3,(H,24,28)
InChIKeyOIXVMBXKDWWHOY-UHFFFAOYSA-N
XLogP4.95
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 91905792
N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
CID 91924552
N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 91915642
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070315
(4R)-N-(5-chloro-2,4-dimethoxyphenyl)-4-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747785
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
N-(2-methylpropyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
CID 110875878
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070319
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001680

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide (CID 91905815) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide is COc1cc(OC)c(NC(=O)N2c3ccccc3CC2c2nc(C3CC3)no2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is OIXVMBXKDWWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-29-18-11-19(30-2)15(10-14(18)23)24-22(28)27-16-6-4-3-5-13(16)9-17(27)21-25-20(26-31-21)12-7-8-12/h3-6,10-12,17H,7-9H2,1-2H3,(H,24,28).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 91905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).