3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

C21H26N2O3S — CID 22096700

IUPAC3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cc2cccs2)CN1C(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-21-23(16-18(26-21)15-19-7-4-14-27-19)20(17-5-2-1-3-6-17)8-9-22-10-12-25-13-11-22/h1-7,14,18,20H,8-13,15-16H2
InChIKeyRUYHUHXKHVZJPK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.58
Rot. Bonds7

About 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 22096700) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID22096700
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cc2cccs2)CN1C(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-21-23(16-18(26-21)15-19-7-4-14-27-19)20(17-5-2-1-3-6-17)8-9-22-10-12-25-13-11-22/h1-7,14,18,20H,8-13,15-16H2
InChIKeyRUYHUHXKHVZJPK-UHFFFAOYSA-N
XLogP3.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (CID 22096700) is 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(Cc2cccs2)CN1C(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RUYHUHXKHVZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21-23(16-18(26-21)15-19-7-4-14-27-19)20(17-5-2-1-3-6-17)8-9-22-10-12-25-13-11-22/h1-7,14,18,20H,8-13,15-16H2.
What are the key properties of 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 386.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-yl-1-phenylpropyl)-5-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22096700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).