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

C21H17N3O4 — CID 3238276

IUPACN-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1
InChIInChI=1S/C21H17N3O4/c1-14-5-2-3-6-17(14)27-13-19-23-20(24-28-19)15-8-10-16(11-9-15)22-21(25)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyCIGGFRPDPSLZAT-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.47
Rot. Bonds6

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

N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 3238276) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID3238276
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1
InChIInChI=1S/C21H17N3O4/c1-14-5-2-3-6-17(14)27-13-19-23-20(24-28-19)15-8-10-16(11-9-15)22-21(25)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyCIGGFRPDPSLZAT-UHFFFAOYSA-N
XLogP4.47
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 3238276) is N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1.
What is the InChIKey of N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is CIGGFRPDPSLZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14-5-2-3-6-17(14)27-13-19-23-20(24-28-19)15-8-10-16(11-9-15)22-21(25)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3238276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).