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

C13H12F3N3O3 — CID 146424925

IUPAC5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H12F3N3O3/c14-13(15,16)9-7-8(11-17-18-12(20)22-11)1-2-10(9)19-3-5-21-6-4-19/h1-2,7H,3-6H2,(H,18,20)
InChIKeyBLCJKUUAGRDCJN-UHFFFAOYSA-N
MW315.25 g/mol
LogP1.89
Rot. Bonds2

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

5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 146424925) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID146424925
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H12F3N3O3/c14-13(15,16)9-7-8(11-17-18-12(20)22-11)1-2-10(9)19-3-5-21-6-4-19/h1-2,7H,3-6H2,(H,18,20)
InChIKeyBLCJKUUAGRDCJN-UHFFFAOYSA-N
XLogP1.89
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 146424925) is 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is BLCJKUUAGRDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c14-13(15,16)9-7-8(11-17-18-12(20)22-11)1-2-10(9)19-3-5-21-6-4-19/h1-2,7H,3-6H2,(H,18,20).
What are the key properties of 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 315.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146424925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).