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

C13H17FN4O — CID 106960866

IUPAC5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(N(C)C(C)c2ccccc2F)o1
InChIInChI=1S/C13H17FN4O/c1-8(15)12-16-17-13(19-12)18(3)9(2)10-6-4-5-7-11(10)14/h4-9H,15H2,1-3H3
InChIKeyMFUMMDAVSSLKAS-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.43
Rot. Bonds4

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

5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106960866) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106960866
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(N(C)C(C)c2ccccc2F)o1
InChIInChI=1S/C13H17FN4O/c1-8(15)12-16-17-13(19-12)18(3)9(2)10-6-4-5-7-11(10)14/h4-9H,15H2,1-3H3
InChIKeyMFUMMDAVSSLKAS-UHFFFAOYSA-N
XLogP2.43
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960864
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122869
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 55209659
5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964244
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106960866) is 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(N(C)C(C)c2ccccc2F)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MFUMMDAVSSLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-8(15)12-16-17-13(19-12)18(3)9(2)10-6-4-5-7-11(10)14/h4-9H,15H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).