4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide

C21H17F3N2O3 — CID 45219033

IUPAC4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1
InChIInChI=1S/C21H17F3N2O3/c1-12-18(28-11-26-12)20(27)25-10-14-9-13-5-4-7-16(19(13)29-14)15-6-2-3-8-17(15)21(22,23)24/h2-8,11,14H,9-10H2,1H3,(H,25,27)
InChIKeySUAXBYRUOSYGDY-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.40
Rot. Bonds4

About 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 45219033) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID45219033
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1
InChIInChI=1S/C21H17F3N2O3/c1-12-18(28-11-26-12)20(27)25-10-14-9-13-5-4-7-16(19(13)29-14)15-6-2-3-8-17(15)21(22,23)24/h2-8,11,14H,9-10H2,1H3,(H,25,27)
InChIKeySUAXBYRUOSYGDY-UHFFFAOYSA-N
XLogP4.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 45219033) is 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1.
What is the InChIKey of 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is SUAXBYRUOSYGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-12-18(28-11-26-12)20(27)25-10-14-9-13-5-4-7-16(19(13)29-14)15-6-2-3-8-17(15)21(22,23)24/h2-8,11,14H,9-10H2,1H3,(H,25,27).
What are the key properties of 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45219033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).