N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C12H14F2N4O — CID 106967362

IUPACN-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2cc(F)c(C)cc2F)o1
InChIInChI=1S/C12H14F2N4O/c1-6-4-9(14)10(5-8(6)13)16-12-18-17-11(19-12)7(2)15-3/h4-5,7,15H,1-3H3,(H,16,18)
InChIKeyLLBMSAVXCKAJLH-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.68
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967362) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967362
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2cc(F)c(C)cc2F)o1
InChIInChI=1S/C12H14F2N4O/c1-6-4-9(14)10(5-8(6)13)16-12-18-17-11(19-12)7(2)15-3/h4-5,7,15H,1-3H3,(H,16,18)
InChIKeyLLBMSAVXCKAJLH-UHFFFAOYSA-N
XLogP2.68
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532092
1-[5-(2,4-difluoro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113396555
5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967359
N-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959404
N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966965
5-[1-(ethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967242
N-(2,5-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966563
N-(4-chloro-2,5-dimethoxyphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966463
5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966724
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
N-(4-bromo-2-fluorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106959002
5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine
CID 106962724

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106967362) is N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(Nc2cc(F)c(C)cc2F)o1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LLBMSAVXCKAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-6-4-9(14)10(5-8(6)13)16-12-18-17-11(19-12)7(2)15-3/h4-5,7,15H,1-3H3,(H,16,18).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 268.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).