3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide

C20H14ClF3N4O2 — CID 142429085

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1nn(-c2cccc(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)c2)c(C)c1Cl
InChIInChI=1S/C20H14ClF3N4O2/c1-10-17(21)11(2)28(27-10)14-5-3-4-12(8-14)18(29)25-13-6-7-16-15(9-13)26-19(30-16)20(22,23)24/h3-9H,1-2H3,(H,25,29)
InChIKeyOXWOKWUFCXULSU-UHFFFAOYSA-N
MW434.81 g/mol
LogP5.55
Rot. Bonds3

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 142429085) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID142429085
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1nn(-c2cccc(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)c2)c(C)c1Cl
InChIInChI=1S/C20H14ClF3N4O2/c1-10-17(21)11(2)28(27-10)14-5-3-4-12(8-14)18(29)25-13-6-7-16-15(9-13)26-19(30-16)20(22,23)24/h3-9H,1-2H3,(H,25,29)
InChIKeyOXWOKWUFCXULSU-UHFFFAOYSA-N
XLogP5.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,3-dihydro-2-benzofuran-5-yl)benzamide
CID 146503907
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 142429012
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-(1,3-benzoxazol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 135330958
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-ethyl-1,3-benzoxazol-6-yl)-N-methylbenzamide
CID 135330856
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 99703386
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55957595
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-phenylbenzamide
CID 142429119
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide (CID 142429085) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide is Cc1nn(-c2cccc(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)c2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is OXWOKWUFCXULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c1-10-17(21)11(2)28(27-10)14-5-3-4-12(8-14)18(29)25-13-6-7-16-15(9-13)26-19(30-16)20(22,23)24/h3-9H,1-2H3,(H,25,29).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 434.81 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 142429085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).