N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide

C17H17N3O4 — CID 20900789

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(C)Cc3ccco3)n2)cc1
InChIInChI=1S/C17H17N3O4/c1-20(11-14-4-3-9-23-14)16(21)10-15-18-17(19-24-15)12-5-7-13(22-2)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyXBGDSMVXZOLDQF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.54
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide

N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide (PubChem CID 20900789) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
PubChem CID20900789
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(C)Cc3ccco3)n2)cc1
InChIInChI=1S/C17H17N3O4/c1-20(11-14-4-3-9-23-14)16(21)10-15-18-17(19-24-15)12-5-7-13(22-2)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyXBGDSMVXZOLDQF-UHFFFAOYSA-N
XLogP2.54
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide (CID 20900789) is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide is COc1ccc(-c2noc(CC(=O)N(C)Cc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
The InChIKey is XBGDSMVXZOLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-20(11-14-4-3-9-23-14)16(21)10-15-18-17(19-24-15)12-5-7-13(22-2)8-6-12/h3-9H,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide has a molecular weight of 327.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 20900789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).