N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide

C16H15N3O3 — CID 53055574

IUPACN-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
SMILESCN(CCc1noc(-c2ccccc2)n1)C(=O)c1ccco1
InChIInChI=1S/C16H15N3O3/c1-19(16(20)13-8-5-11-21-13)10-9-14-17-15(22-18-14)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
InChIKeyDLSONWIOTSAOIF-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide

N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 53055574) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID53055574
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
SMILESCN(CCc1noc(-c2ccccc2)n1)C(=O)c1ccco1
InChIInChI=1S/C16H15N3O3/c1-19(16(20)13-8-5-11-21-13)10-9-14-17-15(22-18-14)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
InChIKeyDLSONWIOTSAOIF-UHFFFAOYSA-N
XLogP2.64
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide (CID 53055574) is N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide is CN(CCc1noc(-c2ccccc2)n1)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is DLSONWIOTSAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19(16(20)13-8-5-11-21-13)10-9-14-17-15(22-18-14)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3.
What are the key properties of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 53055574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).