1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C23H26N2O4 — CID 44537958

IUPAC1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCC(O)CN2CCCC2)c1
InChIInChI=1S/C23H26N2O4/c1-27-19-9-10-20(23-14-21(24-29-23)17-7-3-2-4-8-17)22(13-19)28-16-18(26)15-25-11-5-6-12-25/h2-4,7-10,13-14,18,26H,5-6,11-12,15-16H2,1H3
InChIKeyDPIXYXSKEQHPBV-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.85
Rot. Bonds8

About 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 44537958) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID44537958
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCC(O)CN2CCCC2)c1
InChIInChI=1S/C23H26N2O4/c1-27-19-9-10-20(23-14-21(24-29-23)17-7-3-2-4-8-17)22(13-19)28-16-18(26)15-25-11-5-6-12-25/h2-4,7-10,13-14,18,26H,5-6,11-12,15-16H2,1H3
InChIKeyDPIXYXSKEQHPBV-UHFFFAOYSA-N
XLogP3.85
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 44537958) is 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(-c2cc(-c3ccccc3)no2)c(OCC(O)CN2CCCC2)c1.
What is the InChIKey of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is DPIXYXSKEQHPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-27-19-9-10-20(23-14-21(24-29-23)17-7-3-2-4-8-17)22(13-19)28-16-18(26)15-25-11-5-6-12-25/h2-4,7-10,13-14,18,26H,5-6,11-12,15-16H2,1H3.
What are the key properties of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 394.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 44537958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).