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

C16H19N3O4 — CID 72844742

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCc1noc(CNC(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O4/c1-21-7-6-14-18-15(23-19-14)9-17-16(20)12-8-11-4-2-3-5-13(11)22-10-12/h2-5,12H,6-10H2,1H3,(H,17,20)
InChIKeySGSFEFQVFRRUPF-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.13
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72844742) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72844742
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCc1noc(CNC(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O4/c1-21-7-6-14-18-15(23-19-14)9-17-16(20)12-8-11-4-2-3-5-13(11)22-10-12/h2-5,12H,6-10H2,1H3,(H,17,20)
InChIKeySGSFEFQVFRRUPF-UHFFFAOYSA-N
XLogP1.13
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
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]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72844742) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]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]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COCCc1noc(CNC(=O)C2COc3ccccc3C2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SGSFEFQVFRRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-21-7-6-14-18-15(23-19-14)9-17-16(20)12-8-11-4-2-3-5-13(11)22-10-12/h2-5,12H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 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]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72844742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).