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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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylfuran-2-carboxamide
CID 120850713
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide
CID 120868514
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 120865038
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
N-methyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylbenzenesulfonamide;hydrochloride
CID 120869121
N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride
CID 120867292
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 53055574
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 120865028
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone;hydrochloride
CID 120865027
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
CID 120869013

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).