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

C12H14F2N4O — CID 106969735

IUPACN-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2cccc(F)c2F)o1
InChIInChI=1S/C12H14F2N4O/c1-3-15-7(2)11-17-18-12(19-11)16-9-6-4-5-8(13)10(9)14/h4-7,15H,3H2,1-2H3,(H,16,18)
InChIKeyJNAHKPVMCCIFLH-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.76
Rot. Bonds5

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

N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969735) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969735
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2cccc(F)c2F)o1
InChIInChI=1S/C12H14F2N4O/c1-3-15-7(2)11-17-18-12(19-11)16-9-6-4-5-8(13)10(9)14/h4-7,15H,3H2,1-2H3,(H,16,18)
InChIKeyJNAHKPVMCCIFLH-UHFFFAOYSA-N
XLogP2.76
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967995
5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850
N-(2,5-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966563
5-[1-(ethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967242
N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969724
N-(2-chloro-5-fluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532097
N-(2,4-dichlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966444
N-(2-bromo-4-chlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963424
5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106969926
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
2-N-(2,3-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436713
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106969735) is N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(Nc2cccc(F)c2F)o1.
What is the InChIKey of N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JNAHKPVMCCIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-3-15-7(2)11-17-18-12(19-11)16-9-6-4-5-8(13)10(9)14/h4-7,15H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 268.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).