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

C23H21FN2O4 — CID 45247320

IUPACN-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(F)c(-c2cc(C)cc3c2OC(CNC(=O)c2ocnc2C)C3)c1
InChIInChI=1S/C23H21FN2O4/c1-12-6-16-8-17(10-25-23(28)21-13(2)26-11-29-21)30-22(16)19(7-12)18-9-15(14(3)27)4-5-20(18)24/h4-7,9,11,17H,8,10H2,1-3H3,(H,25,28)
InChIKeyFAMORTVEPJABMM-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.03
Rot. Bonds5

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

N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45247320) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45247320
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(F)c(-c2cc(C)cc3c2OC(CNC(=O)c2ocnc2C)C3)c1
InChIInChI=1S/C23H21FN2O4/c1-12-6-16-8-17(10-25-23(28)21-13(2)26-11-29-21)30-22(16)19(7-12)18-9-15(14(3)27)4-5-20(18)24/h4-7,9,11,17H,8,10H2,1-3H3,(H,25,28)
InChIKeyFAMORTVEPJABMM-UHFFFAOYSA-N
XLogP4.03
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}(4-phenoxyphenyl)methanone
CID 16191414
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 66635138
(5-Fluoro-2-methoxyphenyl){1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}methanone
CID 16188429
ethyl 3-[(1R,5S)-8-benzyl-2-[[(4-methyl-1,3-oxazole-5-carbonyl)amino]methyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzoate
CID 46904747
N-(cyclopropylmethyl)-3-[4-(4-methyl-1,3-oxazole-5-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propanamide
CID 91921139
3-{4-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
CID 91921137
N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 100153672
N-{[7-fluoro-5-(3-quinolinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-4-methyl-1,3-oxazole-5-carboxamide
CID 45203500
N-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 45209039
N-{[7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-4-methyl-1,3-oxazole-5-carboxamide
CID 45213268
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
4-Methyl-N-({7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-YL}methyl)-1,3-oxazole-5-carboxamide
CID 45219033

Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45247320) is N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is CC(=O)c1ccc(F)c(-c2cc(C)cc3c2OC(CNC(=O)c2ocnc2C)C3)c1.
What is the InChIKey of N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is FAMORTVEPJABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-12-6-16-8-17(10-25-23(28)21-13(2)26-11-29-21)30-22(16)19(7-12)18-9-15(14(3)27)4-5-20(18)24/h4-7,9,11,17H,8,10H2,1-3H3,(H,25,28).
What are the key properties of N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45247320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).