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

C20H15N3O4 — CID 6462610

IUPACN-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1ccco1
InChIInChI=1S/C20H15N3O4/c24-20(17-10-5-11-25-17)21-15-7-4-6-14(12-15)19-22-18(27-23-19)13-26-16-8-2-1-3-9-16/h1-12H,13H2,(H,21,24)
InChIKeyPGOJVTZYNCQBEN-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.16
Rot. Bonds6

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

N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 6462610) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID6462610
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1ccco1
InChIInChI=1S/C20H15N3O4/c24-20(17-10-5-11-25-17)21-15-7-4-6-14(12-15)19-22-18(27-23-19)13-26-16-8-2-1-3-9-16/h1-12H,13H2,(H,21,24)
InChIKeyPGOJVTZYNCQBEN-UHFFFAOYSA-N
XLogP4.16
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 6462610) is N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1ccco1.
What is the InChIKey of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is PGOJVTZYNCQBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-20(17-10-5-11-25-17)21-15-7-4-6-14(12-15)19-22-18(27-23-19)13-26-16-8-2-1-3-9-16/h1-12H,13H2,(H,21,24).
What are the key properties of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 6462610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).