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

C16H11F3N4O3 — CID 10133353

IUPAC1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)9-4-3-5-10(8-9)20-14(24)21-12-7-2-1-6-11(12)13-22-23-15(25)26-13/h1-8H,(H,23,25)(H2,20,21,24)
InChIKeyNXPOAVPTRGRBAM-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.69
Rot. Bonds3

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

1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 10133353) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID10133353
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC Name1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C16H11F3N4O3/c17-16(18,19)9-4-3-5-10(8-9)20-14(24)21-12-7-2-1-6-11(12)13-22-23-15(25)26-13/h1-8H,(H,23,25)(H2,20,21,24)
InChIKeyNXPOAVPTRGRBAM-UHFFFAOYSA-N
XLogP3.69
TPSA100.02 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 ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 10133353) is 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1n[nH]c(=O)o1.
What is the InChIKey of 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is NXPOAVPTRGRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c17-16(18,19)9-4-3-5-10(8-9)20-14(24)21-12-7-2-1-6-11(12)13-22-23-15(25)26-13/h1-8H,(H,23,25)(H2,20,21,24).
What are the key properties of 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 364.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 10133353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).