N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

C18H13FN2O3 — CID 94828983

IUPACN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc21)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C18H13FN2O3/c19-13-7-3-1-5-11(13)17-9-14(21-24-17)18(22)20-15-10-23-16-8-4-2-6-12(15)16/h1-9,15H,10H2,(H,20,22)/t15-/m1/s1
InChIKeyHFRIXTAIMPTIAN-OAHLLOKOSA-N
MW324.31 g/mol
LogP3.34
Rot. Bonds3

About N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 94828983) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID94828983
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc21)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C18H13FN2O3/c19-13-7-3-1-5-11(13)17-9-14(21-24-17)18(22)20-15-10-23-16-8-4-2-6-12(15)16/h1-9,15H,10H2,(H,20,22)/t15-/m1/s1
InChIKeyHFRIXTAIMPTIAN-OAHLLOKOSA-N
XLogP3.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 55639151
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 154749020
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030521
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
5-benzyl-N-[(3S)-6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557299
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 94828983) is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1COc2ccccc21)c1cc(-c2ccccc2F)on1.
What is the InChIKey of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HFRIXTAIMPTIAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-13-7-3-1-5-11(13)17-9-14(21-24-17)18(22)20-15-10-23-16-8-4-2-6-12(15)16/h1-9,15H,10H2,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94828983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).