3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole

C17H12FNO2 — CID 74538747

IUPAC3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2CC(c3cc4ccccc4o3)=NO2)cc1
InChIInChI=1S/C17H12FNO2/c18-13-7-5-11(6-8-13)16-10-14(19-21-16)17-9-12-3-1-2-4-15(12)20-17/h1-9,16H,10H2
InChIKeySHCWTAJGRVCZEZ-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.44
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole

3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 74538747) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID74538747
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2CC(c3cc4ccccc4o3)=NO2)cc1
InChIInChI=1S/C17H12FNO2/c18-13-7-5-11(6-8-13)16-10-14(19-21-16)17-9-12-3-1-2-4-15(12)20-17/h1-9,16H,10H2
InChIKeySHCWTAJGRVCZEZ-UHFFFAOYSA-N
XLogP4.44
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one
CID 40570041
5-(1-benzofuran-2-yl)-N-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135529249
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine
CID 11842801
4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile
CID 10402420
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
3-[(2S,3R)-3-(4-fluorophenyl)oxirane-2-carbonyl]chromen-2-one
CID 11449734
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
CID 54374256
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
CID 173056238
4-[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]aniline
CID 66968517

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 74538747) is 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1ccc(C2CC(c3cc4ccccc4o3)=NO2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SHCWTAJGRVCZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-13-7-5-11(6-8-13)16-10-14(19-21-16)17-9-12-3-1-2-4-15(12)20-17/h1-9,16H,10H2.
What are the key properties of 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 281.29 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 74538747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).