N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide

C19H20F4N2O5 — CID 90325654

IUPACN-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1c(F)c(F)c(COCc2cc(C(=O)NCC3CCOC3)no2)c(F)c1F
InChIInChI=1S/C19H20F4N2O5/c1-27-8-12-15(20)17(22)13(18(23)16(12)21)9-29-7-11-4-14(25-30-11)19(26)24-5-10-2-3-28-6-10/h4,10H,2-3,5-9H2,1H3,(H,24,26)
InChIKeyCZVQCITZKUZOGC-UHFFFAOYSA-N
MW432.37 g/mol
LogP2.86
Rot. Bonds9

About N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 90325654) has the molecular formula C19H20F4N2O5 and a molecular weight of 432.37 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID90325654
Molecular FormulaC19H20F4N2O5
Molecular Weight432.37 g/mol
Exact Mass432.13
IUPAC NameN-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1c(F)c(F)c(COCc2cc(C(=O)NCC3CCOC3)no2)c(F)c1F
InChIInChI=1S/C19H20F4N2O5/c1-27-8-12-15(20)17(22)13(18(23)16(12)21)9-29-7-11-4-14(25-30-11)19(26)24-5-10-2-3-28-6-10/h4,10H,2-3,5-9H2,1H3,(H,24,26)
InChIKeyCZVQCITZKUZOGC-UHFFFAOYSA-N
XLogP2.86
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide 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 N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide (CID 90325654) is N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide is COCc1c(F)c(F)c(COCc2cc(C(=O)NCC3CCOC3)no2)c(F)c1F.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CZVQCITZKUZOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O5/c1-27-8-12-15(20)17(22)13(18(23)16(12)21)9-29-7-11-4-14(25-30-11)19(26)24-5-10-2-3-28-6-10/h4,10H,2-3,5-9H2,1H3,(H,24,26).
What are the key properties of N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 432.37 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-[[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).