[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea

C16H11F3N4O3 — CID 54094353

IUPAC[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1cccc(-c2cccc(C(F)(F)F)c2)c1-c1n[nH]c(=O)o1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)9-4-1-3-8(7-9)10-5-2-6-11(21-14(20)24)12(10)13-22-23-15(25)26-13/h1-7H,(H,23,25)(H3,20,21,24)
InChIKeyMWAVUVMOIDVZDD-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.21
Rot. Bonds3

About [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea

[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea (PubChem CID 54094353) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea.

Molecular Properties

Compound Name[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea
PubChem CID54094353
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC Name[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1cccc(-c2cccc(C(F)(F)F)c2)c1-c1n[nH]c(=O)o1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)9-4-1-3-8(7-9)10-5-2-6-11(21-14(20)24)12(10)13-22-23-15(25)26-13/h1-7H,(H,23,25)(H3,20,21,24)
InChIKeyMWAVUVMOIDVZDD-UHFFFAOYSA-N
XLogP3.21
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea?
The IUPAC name of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea (CID 54094353) is [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea.
What is the SMILES notation for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea?
The canonical SMILES for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea is NC(=O)Nc1cccc(-c2cccc(C(F)(F)F)c2)c1-c1n[nH]c(=O)o1.
What is the InChIKey of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea?
The InChIKey is MWAVUVMOIDVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c17-16(18,19)9-4-1-3-8(7-9)10-5-2-6-11(21-14(20)24)12(10)13-22-23-15(25)26-13/h1-7H,(H,23,25)(H3,20,21,24).
What are the key properties of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea?
[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea has a molecular weight of 364.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]urea is sourced from PubChem (CID 54094353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).