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

C23H20N4O4 — CID 53057012

IUPACN-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCc1nc(-c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2)no1
InChIInChI=1S/C23H20N4O4/c1-3-20-26-21(27-31-20)15-6-4-7-17(12-15)24-22(28)16-10-9-14(2)18(13-16)25-23(29)19-8-5-11-30-19/h4-13H,3H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyWLYWEPXDCJVXJO-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.71
Rot. Bonds6

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

N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 53057012) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID53057012
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCc1nc(-c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2)no1
InChIInChI=1S/C23H20N4O4/c1-3-20-26-21(27-31-20)15-6-4-7-17(12-15)24-22(28)16-10-9-14(2)18(13-16)25-23(29)19-8-5-11-30-19/h4-13H,3H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyWLYWEPXDCJVXJO-UHFFFAOYSA-N
XLogP4.71
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319558
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 29470170
1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166328689
N-[5-(1H-indazol-5-ylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 51329615
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 53078605
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 146148767
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 53057012) is N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is CCc1nc(-c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2)no1.
What is the InChIKey of N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is WLYWEPXDCJVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-20-26-21(27-31-20)15-6-4-7-17(12-15)24-22(28)16-10-9-14(2)18(13-16)25-23(29)19-8-5-11-30-19/h4-13H,3H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 53057012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).