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

C20H15N3O3 — CID 17359293

IUPAC2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H15N3O3/c1-13-17(10-11-25-13)18(24)21-16-9-5-8-15(12-16)20-23-22-19(26-20)14-6-3-2-4-7-14/h2-12H,1H3,(H,21,24)
InChIKeyKGCKRHBLHHHXNL-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.56
Rot. Bonds4

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

2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide (PubChem CID 17359293) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
PubChem CID17359293
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H15N3O3/c1-13-17(10-11-25-13)18(24)21-16-9-5-8-15(12-16)20-23-22-19(26-20)14-6-3-2-4-7-14/h2-12H,1H3,(H,21,24)
InChIKeyKGCKRHBLHHHXNL-UHFFFAOYSA-N
XLogP4.56
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide (CID 17359293) is 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide?
The InChIKey is KGCKRHBLHHHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-13-17(10-11-25-13)18(24)21-16-9-5-8-15(12-16)20-23-22-19(26-20)14-6-3-2-4-7-14/h2-12H,1H3,(H,21,24).
What are the key properties of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide?
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 17359293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).