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

C20H21NO3 — CID 42623600

IUPAC4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCCc1ccc(-c2ocnc2-c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C20H21NO3/c1-4-13-5-7-14(8-6-13)20-19(21-11-24-20)16-9-15(12(2)3)17(22)10-18(16)23/h5-12,22-23H,4H2,1-3H3
InChIKeyHFLHRKRENOEYST-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.11
Rot. Bonds4

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

4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 42623600) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID42623600
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCCc1ccc(-c2ocnc2-c2cc(C(C)C)c(O)cc2O)cc1
InChIInChI=1S/C20H21NO3/c1-4-13-5-7-14(8-6-13)20-19(21-11-24-20)16-9-15(12(2)3)17(22)10-18(16)23/h5-12,22-23H,4H2,1-3H3
InChIKeyHFLHRKRENOEYST-UHFFFAOYSA-N
XLogP5.11
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (CID 42623600) is 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is CCc1ccc(-c2ocnc2-c2cc(C(C)C)c(O)cc2O)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is HFLHRKRENOEYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-13-5-7-14(8-6-13)20-19(21-11-24-20)16-9-15(12(2)3)17(22)10-18(16)23/h5-12,22-23H,4H2,1-3H3.
What are the key properties of 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 323.39 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 42623600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).