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

C21H17N3O3 — CID 20973314

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)o1
InChIInChI=1S/C21H17N3O3/c1-14-10-11-18(26-14)13-22-20(25)16-8-5-9-17(12-16)21-23-19(24-27-21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,22,25)
InChIKeyDUVCAWFPPUYVLG-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.24
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 20973314) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID20973314
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)o1
InChIInChI=1S/C21H17N3O3/c1-14-10-11-18(26-14)13-22-20(25)16-8-5-9-17(12-16)21-23-19(24-27-21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,22,25)
InChIKeyDUVCAWFPPUYVLG-UHFFFAOYSA-N
XLogP4.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 20973314) is N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1ccc(CNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is DUVCAWFPPUYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-10-11-18(26-14)13-22-20(25)16-8-5-9-17(12-16)21-23-19(24-27-21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 20973314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).