N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine

C20H25N3O2 — CID 78818411

IUPACN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(NCc2nnc(-c3ccco3)o2)C(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-4-6-15-8-10-16(11-9-15)19(14(2)3)21-13-18-22-23-20(25-18)17-7-5-12-24-17/h5,7-12,14,19,21H,4,6,13H2,1-3H3
InChIKeyGUQQUEQCRXQKFR-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.77
Rot. Bonds8

About N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine

N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine (PubChem CID 78818411) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine
PubChem CID78818411
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(NCc2nnc(-c3ccco3)o2)C(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-4-6-15-8-10-16(11-9-15)19(14(2)3)21-13-18-22-23-20(25-18)17-7-5-12-24-17/h5,7-12,14,19,21H,4,6,13H2,1-3H3
InChIKeyGUQQUEQCRXQKFR-UHFFFAOYSA-N
XLogP4.77
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
CID 78818492
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468410
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]pentanoic acid
CID 43631812
1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9393493
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82158215
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentanoate
CID 56792346
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine (CID 78818411) is N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine is CCCc1ccc(C(NCc2nnc(-c3ccco3)o2)C(C)C)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine?
The InChIKey is GUQQUEQCRXQKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-6-15-8-10-16(11-9-15)19(14(2)3)21-13-18-22-23-20(25-18)17-7-5-12-24-17/h5,7-12,14,19,21H,4,6,13H2,1-3H3.
What are the key properties of N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine?
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine has a molecular weight of 339.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 78818411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).