2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide

C21H13F3N4O3S — CID 174460803

IUPAC2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
SMILESNC(=O)c1ccccc1-c1c(-c2nccs2)noc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F3N4O3S/c22-21(23,24)12-5-3-4-11(10-12)18(30)27-19-15(13-6-1-2-7-14(13)17(25)29)16(28-31-19)20-26-8-9-32-20/h1-10H,(H2,25,29)(H,27,30)
InChIKeyDSIJZVVNZYQELC-UHFFFAOYSA-N
MW458.42 g/mol
LogP4.84
Rot. Bonds5

About 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide

2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide (PubChem CID 174460803) has the molecular formula C21H13F3N4O3S and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
PubChem CID174460803
Molecular FormulaC21H13F3N4O3S
Molecular Weight458.42 g/mol
Exact Mass458.07
IUPAC Name2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
SMILESNC(=O)c1ccccc1-c1c(-c2nccs2)noc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F3N4O3S/c22-21(23,24)12-5-3-4-11(10-12)18(30)27-19-15(13-6-1-2-7-14(13)17(25)29)16(28-31-19)20-26-8-9-32-20/h1-10H,(H2,25,29)(H,27,30)
InChIKeyDSIJZVVNZYQELC-UHFFFAOYSA-N
XLogP4.84
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
The IUPAC name of 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide (CID 174460803) is 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide.
What is the SMILES notation for 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
The canonical SMILES for 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide is NC(=O)c1ccccc1-c1c(-c2nccs2)noc1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
The InChIKey is DSIJZVVNZYQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O3S/c22-21(23,24)12-5-3-4-11(10-12)18(30)27-19-15(13-6-1-2-7-14(13)17(25)29)16(28-31-19)20-26-8-9-32-20/h1-10H,(H2,25,29)(H,27,30).
What are the key properties of 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide has a molecular weight of 458.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazol-4-yl]benzamide is sourced from PubChem (CID 174460803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).