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

C17H21N3O4 — CID 72905852

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O4/c1-20(10-16-18-15(19-24-16)7-8-22-2)17(21)13-9-12-5-3-4-6-14(12)23-11-13/h3-6,13H,7-11H2,1-2H3
InChIKeyQEZGAOOECWCJDW-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.47
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72905852) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72905852
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O4/c1-20(10-16-18-15(19-24-16)7-8-22-2)17(21)13-9-12-5-3-4-6-14(12)23-11-13/h3-6,13H,7-11H2,1-2H3
InChIKeyQEZGAOOECWCJDW-UHFFFAOYSA-N
XLogP1.47
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 72905852) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is COCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QEZGAOOECWCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-20(10-16-18-15(19-24-16)7-8-22-2)17(21)13-9-12-5-3-4-6-14(12)23-11-13/h3-6,13H,7-11H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72905852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).