4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol

C19H19NO4 — CID 23147108

IUPAC4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1Cc1ocnc1CO
InChIInChI=1S/C19H19NO4/c1-2-13-14(8-18-15(10-21)20-11-24-18)19(17(23)9-16(13)22)12-6-4-3-5-7-12/h3-7,9,11,21-23H,2,8,10H2,1H3
InChIKeyJLMLFFNWBCKCSN-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.40
Rot. Bonds5

About 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol

4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol (PubChem CID 23147108) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol
PubChem CID23147108
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1Cc1ocnc1CO
InChIInChI=1S/C19H19NO4/c1-2-13-14(8-18-15(10-21)20-11-24-18)19(17(23)9-16(13)22)12-6-4-3-5-7-12/h3-7,9,11,21-23H,2,8,10H2,1H3
InChIKeyJLMLFFNWBCKCSN-UHFFFAOYSA-N
XLogP3.40
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol?
The IUPAC name of 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol (CID 23147108) is 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol is CCc1c(O)cc(O)c(-c2ccccc2)c1Cc1ocnc1CO.
What is the InChIKey of 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol?
The InChIKey is JLMLFFNWBCKCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-13-14(8-18-15(10-21)20-11-24-18)19(17(23)9-16(13)22)12-6-4-3-5-7-12/h3-7,9,11,21-23H,2,8,10H2,1H3.
What are the key properties of 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol?
4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol has a molecular weight of 325.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[[4-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]-6-phenylbenzene-1,3-diol is sourced from PubChem (CID 23147108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).