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

C17H13F3N4O2S — CID 155131334

IUPAC6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2noc(-c3nccs3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C17H13F3N4O2S/c1-8-4-13-10(15(26-23-13)16-21-2-3-27-16)7-24(8)17(25)22-9-5-11(18)14(20)12(19)6-9/h2-3,5-6,8H,4,7H2,1H3,(H,22,25)
InChIKeyYTMIWSSAJQNQPO-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.19
Rot. Bonds2

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

6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 155131334) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID155131334
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2noc(-c3nccs3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C17H13F3N4O2S/c1-8-4-13-10(15(26-23-13)16-21-2-3-27-16)7-24(8)17(25)22-9-5-11(18)14(20)12(19)6-9/h2-3,5-6,8H,4,7H2,1H3,(H,22,25)
InChIKeyYTMIWSSAJQNQPO-UHFFFAOYSA-N
XLogP4.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-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 142592275
(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
(6S)-6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 149571584
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
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 155124057
(6S)-6-methyl-3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 155131327
(6S)-6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 155131328
6-methyl-3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 155131333
6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 155349961
1-[(6S)-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 157831933
1-[(4S)-4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 158436374
(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 157153562

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 155131334) is 6-methyl-3-(1,3-thiazol-2-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 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is CC1Cc2noc(-c3nccs3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YTMIWSSAJQNQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c1-8-4-13-10(15(26-23-13)16-21-2-3-27-16)7-24(8)17(25)22-9-5-11(18)14(20)12(19)6-9/h2-3,5-6,8H,4,7H2,1H3,(H,22,25).
What are the key properties of 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 155131334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).