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

C15H13N3O3 — CID 2990373

IUPACN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(CNC(=O)c3ccco3)n2)c1
InChIInChI=1S/C15H13N3O3/c1-10-4-2-5-11(8-10)14-17-13(21-18-14)9-16-15(19)12-6-3-7-20-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyAAQQXEMJEJLWOK-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.57
Rot. Bonds4

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

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 2990373) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID2990373
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(-c2noc(CNC(=O)c3ccco3)n2)c1
InChIInChI=1S/C15H13N3O3/c1-10-4-2-5-11(8-10)14-17-13(21-18-14)9-16-15(19)12-6-3-7-20-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyAAQQXEMJEJLWOK-UHFFFAOYSA-N
XLogP2.57
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 2990373) is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is Cc1cccc(-c2noc(CNC(=O)c3ccco3)n2)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is AAQQXEMJEJLWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-4-2-5-11(8-10)14-17-13(21-18-14)9-16-15(19)12-6-3-7-20-12/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 2990373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).