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

C23H24N4O4 — CID 91924552

IUPACN-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1cccc(NC(=O)N2c3ccccc3CC2c2noc(C3CCOCC3)n2)c1
InChIInChI=1S/C23H24N4O4/c1-29-18-7-4-6-17(14-18)24-23(28)27-19-8-3-2-5-16(19)13-20(27)21-25-22(31-26-21)15-9-11-30-12-10-15/h2-8,14-15,20H,9-13H2,1H3,(H,24,28)
InChIKeyPBUVSFDDELEPKG-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.31
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 91924552) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID91924552
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1cccc(NC(=O)N2c3ccccc3CC2c2noc(C3CCOCC3)n2)c1
InChIInChI=1S/C23H24N4O4/c1-29-18-7-4-6-17(14-18)24-23(28)27-19-8-3-2-5-16(19)13-20(27)21-25-22(31-26-21)15-9-11-30-12-10-15/h2-8,14-15,20H,9-13H2,1H3,(H,24,28)
InChIKeyPBUVSFDDELEPKG-UHFFFAOYSA-N
XLogP4.31
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 91915642
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7262323
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
(4aS,5S)-3-cyclopentyl-N-(3-methoxyphenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119092
N-(3-chloro-4-methylphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5161033
(3R)-N-(3-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454485
N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3226032

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide (CID 91924552) is N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide is COc1cccc(NC(=O)N2c3ccccc3CC2c2noc(C3CCOCC3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is PBUVSFDDELEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-29-18-7-4-6-17(14-18)24-23(28)27-19-8-3-2-5-16(19)13-20(27)21-25-22(31-26-21)15-9-11-30-12-10-15/h2-8,14-15,20H,9-13H2,1H3,(H,24,28).
What are the key properties of N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 91924552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).