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

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

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
cis-(1S,3R)-2,2-dimethyl-3-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066375
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 154736814
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284670
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 43182864
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanenitrile
CID 43183176
2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol
CID 111457754

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).