4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol

C22H19NO3 — CID 42623602

IUPAC4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ncoc2-c2ccc3ccccc3c2)c(O)cc1O
InChIInChI=1S/C22H19NO3/c1-13(2)17-10-18(20(25)11-19(17)24)21-22(26-12-23-21)16-8-7-14-5-3-4-6-15(14)9-16/h3-13,24-25H,1-2H3
InChIKeyAISHEBLTSSKIAG-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.70
Rot. Bonds3

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

4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol (PubChem CID 42623602) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol
PubChem CID42623602
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ncoc2-c2ccc3ccccc3c2)c(O)cc1O
InChIInChI=1S/C22H19NO3/c1-13(2)17-10-18(20(25)11-19(17)24)21-22(26-12-23-21)16-8-7-14-5-3-4-6-15(14)9-16/h3-13,24-25H,1-2H3
InChIKeyAISHEBLTSSKIAG-UHFFFAOYSA-N
XLogP5.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol (CID 42623602) is 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2ncoc2-c2ccc3ccccc3c2)c(O)cc1O.
What is the InChIKey of 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is AISHEBLTSSKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-13(2)17-10-18(20(25)11-19(17)24)21-22(26-12-23-21)16-8-7-14-5-3-4-6-15(14)9-16/h3-13,24-25H,1-2H3.
What are the key properties of 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 345.40 g/mol, XLogP of 5.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-2-yl-1,3-oxazol-4-yl)-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 42623602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).