5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol

C18H18N2O3 — CID 5207280

IUPAC5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol
SMILESCCCc1cc(-c2oncc2-c2ccccn2)c(O)cc1OC
InChIInChI=1S/C18H18N2O3/c1-3-6-12-9-13(16(21)10-17(12)22-2)18-14(11-20-23-18)15-7-4-5-8-19-15/h4-5,7-11,21H,3,6H2,1-2H3
InChIKeyVTFDZXNMWBNNAV-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.07
Rot. Bonds5

About 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol

5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol (PubChem CID 5207280) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol
PubChem CID5207280
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol
SMILESCCCc1cc(-c2oncc2-c2ccccn2)c(O)cc1OC
InChIInChI=1S/C18H18N2O3/c1-3-6-12-9-13(16(21)10-17(12)22-2)18-14(11-20-23-18)15-7-4-5-8-19-15/h4-5,7-11,21H,3,6H2,1-2H3
InChIKeyVTFDZXNMWBNNAV-UHFFFAOYSA-N
XLogP4.07
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol?
The IUPAC name of 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol (CID 5207280) is 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol is CCCc1cc(-c2oncc2-c2ccccn2)c(O)cc1OC.
What is the InChIKey of 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol?
The InChIKey is VTFDZXNMWBNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-6-12-9-13(16(21)10-17(12)22-2)18-14(11-20-23-18)15-7-4-5-8-19-15/h4-5,7-11,21H,3,6H2,1-2H3.
What are the key properties of 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol?
5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol has a molecular weight of 310.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propyl-2-(4-pyridin-2-yl-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 5207280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).