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

C20H16FN3O4 — CID 19244347

IUPAC5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)c(C)c1
InChIInChI=1S/C20H16FN3O4/c1-10-8-13(26-3)5-6-14(10)17-19(24-28-23-17)22-20(25)18-11(2)15-9-12(21)4-7-16(15)27-18/h4-9H,1-3H3,(H,22,24,25)
InChIKeyQNCLAXCPFIXNOW-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.50
Rot. Bonds4

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

5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 19244347) has the molecular formula C20H16FN3O4 and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID19244347
Molecular FormulaC20H16FN3O4
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)c(C)c1
InChIInChI=1S/C20H16FN3O4/c1-10-8-13(26-3)5-6-14(10)17-19(24-28-23-17)22-20(25)18-11(2)15-9-12(21)4-7-16(15)27-18/h4-9H,1-3H3,(H,22,24,25)
InChIKeyQNCLAXCPFIXNOW-UHFFFAOYSA-N
XLogP4.50
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244479
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 17013417
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344827
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35572657
5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013415
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 19244347) is 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)c(C)c1.
What is the InChIKey of 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QNCLAXCPFIXNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4/c1-10-8-13(26-3)5-6-14(10)17-19(24-28-23-17)22-20(25)18-11(2)15-9-12(21)4-7-16(15)27-18/h4-9H,1-3H3,(H,22,24,25).
What are the key properties of 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19244347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).