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

C16H15N3O3 — CID 6461987

IUPACN-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccco1
InChIInChI=1S/C16H15N3O3/c1-2-19(16(20)13-9-6-10-21-13)11-14-17-15(18-22-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyUCYIMTKBDYXAOO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.99
Rot. Bonds5

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

N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 6461987) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
PubChem CID6461987
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccco1
InChIInChI=1S/C16H15N3O3/c1-2-19(16(20)13-9-6-10-21-13)11-14-17-15(18-22-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyUCYIMTKBDYXAOO-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (CID 6461987) is N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is UCYIMTKBDYXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-19(16(20)13-9-6-10-21-13)11-14-17-15(18-22-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 6461987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).