1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

C16H17N3O2 — CID 79085075

IUPAC1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCCc1ccc(-c2nnc(C(NC)c3ccccc3)o2)o1
InChIInChI=1S/C16H17N3O2/c1-3-12-9-10-13(20-12)15-18-19-16(21-15)14(17-2)11-7-5-4-6-8-11/h4-10,14,17H,3H2,1-2H3
InChIKeyBMORUFIXVCUYBM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.20
Rot. Bonds5

About 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (PubChem CID 79085075) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
PubChem CID79085075
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCCc1ccc(-c2nnc(C(NC)c3ccccc3)o2)o1
InChIInChI=1S/C16H17N3O2/c1-3-12-9-10-13(20-12)15-18-19-16(21-15)14(17-2)11-7-5-4-6-8-11/h4-10,14,17H,3H2,1-2H3
InChIKeyBMORUFIXVCUYBM-UHFFFAOYSA-N
XLogP3.20
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62162503
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62162679
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164944
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62163381
N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 65215921
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
CID 62164427
[(5-ethylfuran-2-yl)-phenylmethyl]hydrazine
CID 105282976
N-methyl-1-phenyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 103212001
N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 63079825
N-[[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 79084042
N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 114822846

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (CID 79085075) is 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is CCc1ccc(-c2nnc(C(NC)c3ccccc3)o2)o1.
What is the InChIKey of 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The InChIKey is BMORUFIXVCUYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-12-9-10-13(20-12)15-18-19-16(21-15)14(17-2)11-7-5-4-6-8-11/h4-10,14,17H,3H2,1-2H3.
What are the key properties of 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine has a molecular weight of 283.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 79085075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).