(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C23H18F3N5O2 — CID 71784092

IUPAC(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1
InChIInChI=1S/C23H18F3N5O2/c1-30-19(11-18(28-30)14-6-3-2-4-7-14)22(32)31-12-16(13-31)21-27-20(29-33-21)15-8-5-9-17(10-15)23(24,25)26/h2-11,16H,12-13H2,1H3
InChIKeySFCHRUWJPAETEL-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.40
Rot. Bonds4

About (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 71784092) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID71784092
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1
InChIInChI=1S/C23H18F3N5O2/c1-30-19(11-18(28-30)14-6-3-2-4-7-14)22(32)31-12-16(13-31)21-27-20(29-33-21)15-8-5-9-17(10-15)23(24,25)26/h2-11,16H,12-13H2,1H3
InChIKeySFCHRUWJPAETEL-UHFFFAOYSA-N
XLogP4.40
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 71784092) is (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1.
What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is SFCHRUWJPAETEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-30-19(11-18(28-30)14-6-3-2-4-7-14)22(32)31-12-16(13-31)21-27-20(29-33-21)15-8-5-9-17(10-15)23(24,25)26/h2-11,16H,12-13H2,1H3.
What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 453.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71784092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).