N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H14F2N4O — CID 106969724

IUPACN-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(Nc2cccc(F)c2F)o1
InChIInChI=1S/C12H14F2N4O/c1-7(2)15-6-10-17-18-12(19-10)16-9-5-3-4-8(13)11(9)14/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyRCNJTNVQADOHHE-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.59
Rot. Bonds5

About N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969724) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969724
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(Nc2cccc(F)c2F)o1
InChIInChI=1S/C12H14F2N4O/c1-7(2)15-6-10-17-18-12(19-10)16-9-5-3-4-8(13)11(9)14/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyRCNJTNVQADOHHE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106969724) is N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(Nc2cccc(F)c2F)o1.
What is the InChIKey of N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RCNJTNVQADOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-7(2)15-6-10-17-18-12(19-10)16-9-5-3-4-8(13)11(9)14/h3-5,7,15H,6H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 268.27 g/mol, XLogP of 2.59, 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-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).