(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

C16H19N3O3 — CID 126439663

IUPAC(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOCCc1noc(CNC(=O)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O3/c1-21-9-8-14-18-15(22-19-14)10-17-16(20)13-7-6-11-4-2-3-5-12(11)13/h2-5,13H,6-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyXJZJDBVLMMZRPB-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.60
Rot. Bonds6

About (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 126439663) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID126439663
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOCCc1noc(CNC(=O)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C16H19N3O3/c1-21-9-8-14-18-15(22-19-14)10-17-16(20)13-7-6-11-4-2-3-5-12(11)13/h2-5,13H,6-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyXJZJDBVLMMZRPB-CYBMUJFWSA-N
XLogP1.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 126439663) is (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is COCCc1noc(CNC(=O)[C@@H]2CCc3ccccc32)n1.
What is the InChIKey of (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is XJZJDBVLMMZRPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-9-8-14-18-15(22-19-14)10-17-16(20)13-7-6-11-4-2-3-5-12(11)13/h2-5,13H,6-10H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 126439663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).