4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

C19H14F3N3O3 — CID 109050141

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1
InChIInChI=1S/C19H14F3N3O3/c1-11-9-16(25-28-11)24-18(27)13-7-5-12(6-8-13)17(26)23-15-4-2-3-14(10-15)19(20,21)22/h2-10H,1H3,(H,23,26)(H,24,25,27)
InChIKeyRXCVNQGHIWLLBK-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.51
Rot. Bonds4

About 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 109050141) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID109050141
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1
InChIInChI=1S/C19H14F3N3O3/c1-11-9-16(25-28-11)24-18(27)13-7-5-12(6-8-13)17(26)23-15-4-2-3-14(10-15)19(20,21)22/h2-10H,1H3,(H,23,26)(H,24,25,27)
InChIKeyRXCVNQGHIWLLBK-UHFFFAOYSA-N
XLogP4.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (CID 109050141) is 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is RXCVNQGHIWLLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-11-9-16(25-28-11)24-18(27)13-7-5-12(6-8-13)17(26)23-15-4-2-3-14(10-15)19(20,21)22/h2-10H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 389.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).