(6S)-6-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 142592282

IUPAC(6S)-6-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(-c2onc3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C)C3)cs1
InChIInChI=1S/C18H15F3N4O2S/c1-8-3-14-11(17(27-24-14)15-7-28-9(2)22-15)6-25(8)18(26)23-10-4-12(19)16(21)13(20)5-10/h4-5,7-8H,3,6H2,1-2H3,(H,23,26)/t8-/m0/s1
InChIKeyJSZYIRAJUGCKIQ-QMMMGPOBSA-N
MW408.41 g/mol
LogP4.50
Rot. Bonds2

About (6S)-6-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

(6S)-6-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 142592282) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is (6S)-6-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 Name(6S)-6-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 CID142592282
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name(6S)-6-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(-c2onc3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C)C3)cs1
InChIInChI=1S/C18H15F3N4O2S/c1-8-3-14-11(17(27-24-14)15-7-28-9(2)22-15)6-25(8)18(26)23-10-4-12(19)16(21)13(20)5-10/h4-5,7-8H,3,6H2,1-2H3,(H,23,26)/t8-/m0/s1
InChIKeyJSZYIRAJUGCKIQ-QMMMGPOBSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6S)-6-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

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Related Compounds

N-butyl-4-[4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 76319699
N-(4-fluorophenyl)-4-[4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 76312441
N-(4-fluorophenyl)-4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 76315949
N-butyl-4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 76315950
4-[4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 76319676
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 76323294
N-(4-fluorophenyl)-4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 76330528
4-[4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]-N-phenylpiperidine-1-carboxamide
CID 76330547
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]-N-phenylpiperidine-1-carboxamide
CID 76334116
4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]-N-phenylpiperidine-1-carboxamide
CID 76334138
2-(5-methylisoxazol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-1-carboxamide
CID 72857847
2-(3,5-dimethylisoxazol-4-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 72895967

Frequently Asked Questions

What is the IUPAC name of (6S)-6-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 (6S)-6-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 142592282) is (6S)-6-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 (6S)-6-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 (6S)-6-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(-c2onc3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C)C3)cs1.
What is the InChIKey of (6S)-6-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 JSZYIRAJUGCKIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-8-3-14-11(17(27-24-14)15-7-28-9(2)22-15)6-25(8)18(26)23-10-4-12(19)16(21)13(20)5-10/h4-5,7-8H,3,6H2,1-2H3,(H,23,26)/t8-/m0/s1.
What are the key properties of (6S)-6-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?
(6S)-6-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 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-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 142592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).