N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C15H20N2O2 — CID 65186990

IUPACN-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCc1cc(-c2cnc(CCCNC3CC3)o2)c(C)o1
InChIInChI=1S/C15H20N2O2/c1-10-8-13(11(2)18-10)14-9-17-15(19-14)4-3-7-16-12-5-6-12/h8-9,12,16H,3-7H2,1-2H3
InChIKeyIGPUPDPOMBCVEI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 65186990) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID65186990
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCc1cc(-c2cnc(CCCNC3CC3)o2)c(C)o1
InChIInChI=1S/C15H20N2O2/c1-10-8-13(11(2)18-10)14-9-17-15(19-14)4-3-7-16-12-5-6-12/h8-9,12,16H,3-7H2,1-2H3
InChIKeyIGPUPDPOMBCVEI-UHFFFAOYSA-N
XLogP3.24
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186776
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
CID 65179613
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185137
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184796
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 107100479
N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[3-[5-(2,4,6-trifluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187331
N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 66120698
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187137
N-[3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 79690651
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 65186990) is N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is Cc1cc(-c2cnc(CCCNC3CC3)o2)c(C)o1.
What is the InChIKey of N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is IGPUPDPOMBCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-8-13(11(2)18-10)14-9-17-15(19-14)4-3-7-16-12-5-6-12/h8-9,12,16H,3-7H2,1-2H3.
What are the key properties of N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 260.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65186990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).