1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea

C16H12F2N4O3 — CID 166962926

IUPAC1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(-c2nnc(NC(=O)Nc3ccc(F)c(F)c3)o2)cc1
InChIInChI=1S/C16H12F2N4O3/c1-24-11-5-2-9(3-6-11)14-21-22-16(25-14)20-15(23)19-10-4-7-12(17)13(18)8-10/h2-8H,1H3,(H2,19,20,22,23)
InChIKeyREYYCSRTZBZLRX-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.67
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea

1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 166962926) has the molecular formula C16H12F2N4O3 and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID166962926
Molecular FormulaC16H12F2N4O3
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC Name1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCOc1ccc(-c2nnc(NC(=O)Nc3ccc(F)c(F)c3)o2)cc1
InChIInChI=1S/C16H12F2N4O3/c1-24-11-5-2-9(3-6-11)14-21-22-16(25-14)20-15(23)19-10-4-7-12(17)13(18)8-10/h2-8H,1H3,(H2,19,20,22,23)
InChIKeyREYYCSRTZBZLRX-UHFFFAOYSA-N
XLogP3.67
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea (CID 166962926) is 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is COc1ccc(-c2nnc(NC(=O)Nc3ccc(F)c(F)c3)o2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is REYYCSRTZBZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3/c1-24-11-5-2-9(3-6-11)14-21-22-16(25-14)20-15(23)19-10-4-7-12(17)13(18)8-10/h2-8H,1H3,(H2,19,20,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea?
1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 346.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 166962926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).