[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone

C19H16F3N5O4 — CID 170354969

IUPAC[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCC(C)c1noc(C2=CCN(C(=O)c3noc(-c4cc(F)c(F)c(O)c4F)n3)CC2)n1
InChIInChI=1S/C19H16F3N5O4/c1-8(2)15-23-17(30-25-15)9-3-5-27(6-4-9)19(29)16-24-18(31-26-16)10-7-11(20)13(22)14(28)12(10)21/h3,7-8,28H,4-6H2,1-2H3
InChIKeyPNDOGWGLHQOKRJ-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.30
Rot. Bonds4

About [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone

[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 170354969) has the molecular formula C19H16F3N5O4 and a molecular weight of 435.36 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
PubChem CID170354969
Molecular FormulaC19H16F3N5O4
Molecular Weight435.36 g/mol
Exact Mass435.12
IUPAC Name[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCC(C)c1noc(C2=CCN(C(=O)c3noc(-c4cc(F)c(F)c(O)c4F)n3)CC2)n1
InChIInChI=1S/C19H16F3N5O4/c1-8(2)15-23-17(30-25-15)9-3-5-27(6-4-9)19(29)16-24-18(31-26-16)10-7-11(20)13(22)14(28)12(10)21/h3,7-8,28H,4-6H2,1-2H3
InChIKeyPNDOGWGLHQOKRJ-UHFFFAOYSA-N
XLogP3.30
TPSA118.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The IUPAC name of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 170354969) is [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone.
What is the SMILES notation for [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The canonical SMILES for [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone is CC(C)c1noc(C2=CCN(C(=O)c3noc(-c4cc(F)c(F)c(O)c4F)n3)CC2)n1.
What is the InChIKey of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The InChIKey is PNDOGWGLHQOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O4/c1-8(2)15-23-17(30-25-15)9-3-5-27(6-4-9)19(29)16-24-18(31-26-16)10-7-11(20)13(22)14(28)12(10)21/h3,7-8,28H,4-6H2,1-2H3.
What are the key properties of [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 435.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 170354969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).