4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol

C17H13F2N3O2 — CID 135665944

IUPAC4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol
SMILESC=CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1
InChIInChI=1S/C17H13F2N3O2/c1-2-7-20-17-22-21-16(24-17)13-8-10(3-6-15(13)23)12-5-4-11(18)9-14(12)19/h2-6,8-9,23H,1,7H2,(H,20,22)
InChIKeyAKRMWEXPJPOIBK-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.99
Rot. Bonds5

About 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol

4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135665944) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135665944
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol
SMILESC=CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1
InChIInChI=1S/C17H13F2N3O2/c1-2-7-20-17-22-21-16(24-17)13-8-10(3-6-15(13)23)12-5-4-11(18)9-14(12)19/h2-6,8-9,23H,1,7H2,(H,20,22)
InChIKeyAKRMWEXPJPOIBK-UHFFFAOYSA-N
XLogP3.99
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol (CID 135665944) is 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol is C=CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is AKRMWEXPJPOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-2-7-20-17-22-21-16(24-17)13-8-10(3-6-15(13)23)12-5-4-11(18)9-14(12)19/h2-6,8-9,23H,1,7H2,(H,20,22).
What are the key properties of 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol?
4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 329.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135665944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).