N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine

C14H15N3O3 — CID 134019576

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CN(C)Cc2nc(-c3ccco3)no2)o1
InChIInChI=1S/C14H15N3O3/c1-10-5-6-11(19-10)8-17(2)9-13-15-14(16-20-13)12-4-3-7-18-12/h3-7H,8-9H2,1-2H3
InChIKeyYXIFMFWSQKLAAE-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.86
Rot. Bonds5

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 134019576) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID134019576
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CN(C)Cc2nc(-c3ccco3)no2)o1
InChIInChI=1S/C14H15N3O3/c1-10-5-6-11(19-10)8-17(2)9-13-15-14(16-20-13)12-4-3-7-18-12/h3-7H,8-9H2,1-2H3
InChIKeyYXIFMFWSQKLAAE-UHFFFAOYSA-N
XLogP2.86
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine with MolForge

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Related Compounds

1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 50975857
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896
1-(1,3-diphenylpyrazol-4-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 37254069
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 134043607
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62822562
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
CID 50954177

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 134019576) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CN(C)Cc2nc(-c3ccco3)no2)o1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is YXIFMFWSQKLAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-5-6-11(19-10)8-17(2)9-13-15-14(16-20-13)12-4-3-7-18-12/h3-7H,8-9H2,1-2H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 134019576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).