1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one

C16H12FNO2 — CID 82305496

IUPAC1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
SMILESCCC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C16H12FNO2/c1-2-14(19)10-6-7-15-13(9-10)18-16(20-15)11-4-3-5-12(17)8-11/h3-9H,2H2,1H3
InChIKeyICGCRWUGOIPFQQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.23
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one

1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one (PubChem CID 82305496) has the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
PubChem CID82305496
Molecular FormulaC16H12FNO2
Molecular Weight269.27 g/mol
Exact Mass269.09
IUPAC Name1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
SMILESCCC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C16H12FNO2/c1-2-14(19)10-6-7-15-13(9-10)18-16(20-15)11-4-3-5-12(17)8-11/h3-9H,2H2,1H3
InChIKeyICGCRWUGOIPFQQ-UHFFFAOYSA-N
XLogP4.23
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
2-(3-fluorophenyl)-1,3-benzoxazole-5-sulfinic acid
CID 174517894
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
CID 82233469
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
CID 26336754
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
CID 15750383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one (CID 82305496) is 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one is CCC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one?
The InChIKey is ICGCRWUGOIPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-2-14(19)10-6-7-15-13(9-10)18-16(20-15)11-4-3-5-12(17)8-11/h3-9H,2H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one?
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one has a molecular weight of 269.27 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one is sourced from PubChem (CID 82305496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).