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

C19H21N3O2 — CID 75510450

IUPAC1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
SMILESCc1ccccc1-c1nc(CNCc2ccc(C3CC3C)o2)no1
InChIInChI=1S/C19H21N3O2/c1-12-5-3-4-6-15(12)19-21-18(22-24-19)11-20-10-14-7-8-17(23-14)16-9-13(16)2/h3-8,13,16,20H,9-11H2,1-2H3
InChIKeyHGJOLKKERRFZTB-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.05
Rot. Bonds6

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

1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine (PubChem CID 75510450) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
PubChem CID75510450
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
SMILESCc1ccccc1-c1nc(CNCc2ccc(C3CC3C)o2)no1
InChIInChI=1S/C19H21N3O2/c1-12-5-3-4-6-15(12)19-21-18(22-24-19)11-20-10-14-7-8-17(23-14)16-9-13(16)2/h3-8,13,16,20H,9-11H2,1-2H3
InChIKeyHGJOLKKERRFZTB-UHFFFAOYSA-N
XLogP4.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
The IUPAC name of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine (CID 75510450) is 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine.
What is the SMILES notation for 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
The canonical SMILES for 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine is Cc1ccccc1-c1nc(CNCc2ccc(C3CC3C)o2)no1.
What is the InChIKey of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
The InChIKey is HGJOLKKERRFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-5-3-4-6-15(12)19-21-18(22-24-19)11-20-10-14-7-8-17(23-14)16-9-13(16)2/h3-8,13,16,20H,9-11H2,1-2H3.
What are the key properties of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine is sourced from PubChem (CID 75510450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).