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

C18H20N4O3 — CID 120865244

IUPACN-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCNC(C)Cc1noc(-c2ccccc2N(C)C(=O)c2ccco2)n1
InChIInChI=1S/C18H20N4O3/c1-12(19-2)11-16-20-17(25-21-16)13-7-4-5-8-14(13)22(3)18(23)15-9-6-10-24-15/h4-10,12,19H,11H2,1-3H3
InChIKeyXVKQGCJDURPYMQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds6

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

N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 120865244) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID120865244
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCNC(C)Cc1noc(-c2ccccc2N(C)C(=O)c2ccco2)n1
InChIInChI=1S/C18H20N4O3/c1-12(19-2)11-16-20-17(25-21-16)13-7-4-5-8-14(13)22(3)18(23)15-9-6-10-24-15/h4-10,12,19H,11H2,1-3H3
InChIKeyXVKQGCJDURPYMQ-UHFFFAOYSA-N
XLogP2.76
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 120865244) is N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is CNC(C)Cc1noc(-c2ccccc2N(C)C(=O)c2ccco2)n1.
What is the InChIKey of N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is XVKQGCJDURPYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(19-2)11-16-20-17(25-21-16)13-7-4-5-8-14(13)22(3)18(23)15-9-6-10-24-15/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 120865244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).