8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C19H13F3N2O3 — CID 46273627

IUPAC8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C(F)(F)F)c3)c1CO2
InChIInChI=1S/C19H13F3N2O3/c1-10-5-6-15-13(7-10)17-14(9-26-15)16(24-27-17)18(25)23-12-4-2-3-11(8-12)19(20,21)22/h2-8H,9H2,1H3,(H,23,25)
InChIKeyUKWHFWFFICBJJA-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.81
Rot. Bonds2

About 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46273627) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46273627
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C(F)(F)F)c3)c1CO2
InChIInChI=1S/C19H13F3N2O3/c1-10-5-6-15-13(7-10)17-14(9-26-15)16(24-27-17)18(25)23-12-4-2-3-11(8-12)19(20,21)22/h2-8H,9H2,1H3,(H,23,25)
InChIKeyUKWHFWFFICBJJA-UHFFFAOYSA-N
XLogP4.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273621
N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271788
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
(5S)-5-methyl-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056700
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271796
4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 7348563
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46273627) is 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is Cc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C(F)(F)F)c3)c1CO2.
What is the InChIKey of 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is UKWHFWFFICBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-10-5-6-15-13(7-10)17-14(9-26-15)16(24-27-17)18(25)23-12-4-2-3-11(8-12)19(20,21)22/h2-8H,9H2,1H3,(H,23,25).
What are the key properties of 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46273627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).