N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C14H21N3O2 — CID 65152299

IUPACN-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C14H21N3O2/c1-5-15-8-6-7-12-16-17-14(19-12)13-9(2)10(3)18-11(13)4/h15H,5-8H2,1-4H3
InChIKeyFYSMUYBFXBHROH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 65152299) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID65152299
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C14H21N3O2/c1-5-15-8-6-7-12-16-17-14(19-12)13-9(2)10(3)18-11(13)4/h15H,5-8H2,1-4H3
InChIKeyFYSMUYBFXBHROH-UHFFFAOYSA-N
XLogP2.80
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152298
3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 82830169
N-ethyl-3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63211469
N-ethyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215589
3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138165
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 82800202
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55153256
N-ethyl-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104632933
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65152251
N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81124151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 65152299) is N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNCCCc1nnc(-c2c(C)oc(C)c2C)o1.
What is the InChIKey of N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is FYSMUYBFXBHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-15-8-6-7-12-16-17-14(19-12)13-9(2)10(3)18-11(13)4/h15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 65152299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).