2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide

C20H15F3N4O2S — CID 3862776

IUPAC2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(-c3ccno3)n2)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N4O2S/c1-11-14(18(24)28)8-16(15-10-30-19(26-15)17-6-7-25-29-17)27(11)9-12-2-4-13(5-3-12)20(21,22)23/h2-8,10H,9H2,1H3,(H2,24,28)
InChIKeyWZGLMFXWJOMBKS-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.74
Rot. Bonds5

About 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide

2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide (PubChem CID 3862776) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
PubChem CID3862776
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(-c3ccno3)n2)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N4O2S/c1-11-14(18(24)28)8-16(15-10-30-19(26-15)17-6-7-25-29-17)27(11)9-12-2-4-13(5-3-12)20(21,22)23/h2-8,10H,9H2,1H3,(H2,24,28)
InChIKeyWZGLMFXWJOMBKS-UHFFFAOYSA-N
XLogP4.74
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide (CID 3862776) is 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2csc(-c3ccno3)n2)n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
The InChIKey is WZGLMFXWJOMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-11-14(18(24)28)8-16(15-10-30-19(26-15)17-6-7-25-29-17)27(11)9-12-2-4-13(5-3-12)20(21,22)23/h2-8,10H,9H2,1H3,(H2,24,28).
What are the key properties of 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3862776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).