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

C21H18F2N2O3 — CID 45213973

IUPACN-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(-c2cc(F)cc3c2OC(CNC(=O)c2ocnc2C)C3)ccc1F
InChIInChI=1S/C21H18F2N2O3/c1-11-5-13(3-4-18(11)23)17-8-15(22)6-14-7-16(28-20(14)17)9-24-21(26)19-12(2)25-10-27-19/h3-6,8,10,16H,7,9H2,1-2H3,(H,24,26)
InChIKeyIZGYREVZUCVCHB-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.97
Rot. Bonds4

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

N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45213973) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45213973
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC NameN-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(-c2cc(F)cc3c2OC(CNC(=O)c2ocnc2C)C3)ccc1F
InChIInChI=1S/C21H18F2N2O3/c1-11-5-13(3-4-18(11)23)17-8-15(22)6-14-7-16(28-20(14)17)9-24-21(26)19-12(2)25-10-27-19/h3-6,8,10,16H,7,9H2,1-2H3,(H,24,26)
InChIKeyIZGYREVZUCVCHB-UHFFFAOYSA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45213973) is N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1cc(-c2cc(F)cc3c2OC(CNC(=O)c2ocnc2C)C3)ccc1F.
What is the InChIKey of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is IZGYREVZUCVCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-11-5-13(3-4-18(11)23)17-8-15(22)6-14-7-16(28-20(14)17)9-24-21(26)19-12(2)25-10-27-19/h3-6,8,10,16H,7,9H2,1-2H3,(H,24,26).
What are the key properties of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45213973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).