N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine

C18H15N3O3 — CID 133481744

IUPACN,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(N(Cc3ccco3)Cc3ccco3)no2)cc1
InChIInChI=1S/C18H15N3O3/c1-2-6-14(7-3-1)17-19-18(20-24-17)21(12-15-8-4-10-22-15)13-16-9-5-11-23-16/h1-11H,12-13H2
InChIKeyQMYGPIRIZBBDCM-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.13
Rot. Bonds6

About N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine

N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133481744) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133481744
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(N(Cc3ccco3)Cc3ccco3)no2)cc1
InChIInChI=1S/C18H15N3O3/c1-2-6-14(7-3-1)17-19-18(20-24-17)21(12-15-8-4-10-22-15)13-16-9-5-11-23-16/h1-11H,12-13H2
InChIKeyQMYGPIRIZBBDCM-UHFFFAOYSA-N
XLogP4.13
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907635
N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 133483793
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine
CID 3804747
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133428838
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78857932
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 24534529
5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 2819964

Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133481744) is N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(N(Cc3ccco3)Cc3ccco3)no2)cc1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is QMYGPIRIZBBDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-6-14(7-3-1)17-19-18(20-24-17)21(12-15-8-4-10-22-15)13-16-9-5-11-23-16/h1-11H,12-13H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine?
N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 321.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133481744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).