5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine

C13H17FN4O — CID 106971235

IUPAC5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)c2cccc(F)c2)o1
InChIInChI=1S/C13H17FN4O/c1-4-15-9(2)12-16-17-13(19-12)18(3)11-7-5-6-10(14)8-11/h5-9,15H,4H2,1-3H3
InChIKeyHZRLWKDUDQLBFO-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.65
Rot. Bonds5

About 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106971235) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106971235
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)c2cccc(F)c2)o1
InChIInChI=1S/C13H17FN4O/c1-4-15-9(2)12-16-17-13(19-12)18(3)11-7-5-6-10(14)8-11/h5-9,15H,4H2,1-3H3
InChIKeyHZRLWKDUDQLBFO-UHFFFAOYSA-N
XLogP2.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(ethylamino)ethyl]-N-(3-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970478
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-ethyl-5-[1-(ethylamino)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967971
N-(3-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970473
1-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162522
N-(2,5-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966563
N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960112
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532097
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
1-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164275
N-ethyl-4-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 64542740

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106971235) is 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(N(C)c2cccc(F)c2)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is HZRLWKDUDQLBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-4-15-9(2)12-16-17-13(19-12)18(3)11-7-5-6-10(14)8-11/h5-9,15H,4H2,1-3H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).