4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C18H15F3N4O2S — CID 155123979

IUPAC4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1nc(-c2onc3c2C(C)N(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)cs1
InChIInChI=1S/C18H15F3N4O2S/c1-8-15-13(24-27-17(15)14-7-28-9(2)22-14)3-4-25(8)18(26)23-10-5-11(19)16(21)12(20)6-10/h5-8H,3-4H2,1-2H3,(H,23,26)
InChIKeyHCHKJQDTHNTDGX-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.68
Rot. Bonds2

About 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 155123979) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID155123979
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1nc(-c2onc3c2C(C)N(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)cs1
InChIInChI=1S/C18H15F3N4O2S/c1-8-15-13(24-27-17(15)14-7-28-9(2)22-14)3-4-25(8)18(26)23-10-5-11(19)16(21)12(20)6-10/h5-8H,3-4H2,1-2H3,(H,23,26)
InChIKeyHCHKJQDTHNTDGX-UHFFFAOYSA-N
XLogP4.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-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 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 155123979) is 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is Cc1nc(-c2onc3c2C(C)N(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)cs1.
What is the InChIKey of 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is HCHKJQDTHNTDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-8-15-13(24-27-17(15)14-7-28-9(2)22-14)3-4-25(8)18(26)23-10-5-11(19)16(21)12(20)6-10/h5-8H,3-4H2,1-2H3,(H,23,26).
What are the key properties of 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 155123979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).