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

C21H26N4O3 — CID 91924555

IUPACN-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCC1)N1c2ccccc2CC1c1noc(C2CCOCC2)n1
InChIInChI=1S/C21H26N4O3/c26-21(22-16-6-2-3-7-16)25-17-8-4-1-5-15(17)13-18(25)19-23-20(28-24-19)14-9-11-27-12-10-14/h1,4-5,8,14,16,18H,2-3,6-7,9-13H2,(H,22,26)
InChIKeyHZUOLVRVWBDQDY-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.72
Rot. Bonds3

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

N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 91924555) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID91924555
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCC1)N1c2ccccc2CC1c1noc(C2CCOCC2)n1
InChIInChI=1S/C21H26N4O3/c26-21(22-16-6-2-3-7-16)25-17-8-4-1-5-15(17)13-18(25)19-23-20(28-24-19)14-9-11-27-12-10-14/h1,4-5,8,14,16,18H,2-3,6-7,9-13H2,(H,22,26)
InChIKeyHZUOLVRVWBDQDY-UHFFFAOYSA-N
XLogP3.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide (CID 91924555) is N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide is O=C(NC1CCCC1)N1c2ccccc2CC1c1noc(C2CCOCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is HZUOLVRVWBDQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-21(22-16-6-2-3-7-16)25-17-8-4-1-5-15(17)13-18(25)19-23-20(28-24-19)14-9-11-27-12-10-14/h1,4-5,8,14,16,18H,2-3,6-7,9-13H2,(H,22,26).
What are the key properties of N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide?
N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 91924555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).