3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C26H33NO5 — CID 155452091

IUPAC3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOC(CCc1ccc(OCc2ccccc2)cc1)C(C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C26H33NO5/c1-18(2)23-17-32-26(29)27(23)25(28)19(3)24(30-4)15-12-20-10-13-22(14-11-20)31-16-21-8-6-5-7-9-21/h5-11,13-14,18-19,23-24H,12,15-17H2,1-4H3
InChIKeyQNARYTCATGICGV-UHFFFAOYSA-N
MW439.55 g/mol
LogP4.85
Rot. Bonds10

About 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 155452091) has the molecular formula C26H33NO5 and a molecular weight of 439.55 g/mol. Its IUPAC name is 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID155452091
Molecular FormulaC26H33NO5
Molecular Weight439.55 g/mol
Exact Mass439.24
IUPAC Name3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOC(CCc1ccc(OCc2ccccc2)cc1)C(C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C26H33NO5/c1-18(2)23-17-32-26(29)27(23)25(28)19(3)24(30-4)15-12-20-10-13-22(14-11-20)31-16-21-8-6-5-7-9-21/h5-11,13-14,18-19,23-24H,12,15-17H2,1-4H3
InChIKeyQNARYTCATGICGV-UHFFFAOYSA-N
XLogP4.85
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 155452091) is 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is COC(CCc1ccc(OCc2ccccc2)cc1)C(C)C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QNARYTCATGICGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5/c1-18(2)23-17-32-26(29)27(23)25(28)19(3)24(30-4)15-12-20-10-13-22(14-11-20)31-16-21-8-6-5-7-9-21/h5-11,13-14,18-19,23-24H,12,15-17H2,1-4H3.
What are the key properties of 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 439.55 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155452091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).