4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

C18H16FNO3 — CID 162720433

IUPAC4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ncoc2-c2cccc(F)c2)c(O)cc1O
InChIInChI=1S/C18H16FNO3/c1-10(2)13-7-14(16(22)8-15(13)21)17-18(23-9-20-17)11-4-3-5-12(19)6-11/h3-10,21-22H,1-2H3
InChIKeyDNFPKOKRYOUWKI-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.68
Rot. Bonds3

About 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 162720433) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID162720433
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ncoc2-c2cccc(F)c2)c(O)cc1O
InChIInChI=1S/C18H16FNO3/c1-10(2)13-7-14(16(22)8-15(13)21)17-18(23-9-20-17)11-4-3-5-12(19)6-11/h3-10,21-22H,1-2H3
InChIKeyDNFPKOKRYOUWKI-UHFFFAOYSA-N
XLogP4.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (CID 162720433) is 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2ncoc2-c2cccc(F)c2)c(O)cc1O.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is DNFPKOKRYOUWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-10(2)13-7-14(16(22)8-15(13)21)17-18(23-9-20-17)11-4-3-5-12(19)6-11/h3-10,21-22H,1-2H3.
What are the key properties of 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 313.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 162720433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).