4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

C13H9F2N5O2 — CID 167742893

IUPAC4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESC/C(=C/c1ccc(F)c(F)c1)c1nc(-c2nonc2N)no1
InChIInChI=1S/C13H9F2N5O2/c1-6(4-7-2-3-8(14)9(15)5-7)13-17-12(20-21-13)10-11(16)19-22-18-10/h2-5H,1H3,(H2,16,19)/b6-4-
InChIKeyNCSWXZLJQHVPNZ-XQRVVYSFSA-N
MW305.24 g/mol
LogP2.54
Rot. Bonds3

About 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 167742893) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID167742893
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC Name4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESC/C(=C/c1ccc(F)c(F)c1)c1nc(-c2nonc2N)no1
InChIInChI=1S/C13H9F2N5O2/c1-6(4-7-2-3-8(14)9(15)5-7)13-17-12(20-21-13)10-11(16)19-22-18-10/h2-5H,1H3,(H2,16,19)/b6-4-
InChIKeyNCSWXZLJQHVPNZ-XQRVVYSFSA-N
XLogP2.54
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 167742893) is 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is C/C(=C/c1ccc(F)c(F)c1)c1nc(-c2nonc2N)no1.
What is the InChIKey of 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is NCSWXZLJQHVPNZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c1-6(4-7-2-3-8(14)9(15)5-7)13-17-12(20-21-13)10-11(16)19-22-18-10/h2-5H,1H3,(H2,16,19)/b6-4-.
What are the key properties of 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 305.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-1-(3,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 167742893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).