5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one

C21H26N2O3S — CID 54507616

IUPAC5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cc2ccccc2)CN1C(CCN1CCOCC1)c1cccs1
InChIInChI=1S/C21H26N2O3S/c24-21-23(16-18(26-21)15-17-5-2-1-3-6-17)19(20-7-4-14-27-20)8-9-22-10-12-25-13-11-22/h1-7,14,18-19H,8-13,15-16H2
InChIKeyYGVKNEDTTAAYMD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.58
Rot. Bonds7

About 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one

5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one (PubChem CID 54507616) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one
PubChem CID54507616
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cc2ccccc2)CN1C(CCN1CCOCC1)c1cccs1
InChIInChI=1S/C21H26N2O3S/c24-21-23(16-18(26-21)15-17-5-2-1-3-6-17)19(20-7-4-14-27-20)8-9-22-10-12-25-13-11-22/h1-7,14,18-19H,8-13,15-16H2
InChIKeyYGVKNEDTTAAYMD-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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Related Compounds

1-(3-Phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71993260
Benzyl 9-(thiophen-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 134806872
2-(3-Fluorobenzyl)-4-(2-thienylmethyl)morpholine
CID 50973645
N-[2-(2-fluorophenyl)-3-methoxy-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 140354994
5-Benzyl-5-fluoro-3-(thiophen-3-ylmethyl)-1,3-oxazolidin-2-one
CID 141482633
2-Thiophen-2-ylethyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate
CID 6735308
(2S,3R,7S)-7,11-dimethyl-3-phenyl-4-oxa-10-thia-6-azatricyclo[7.3.0.02,6]dodeca-1(9),11-dien-5-one
CID 129452770
benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate
CID 164672364
(4R)-5-methylidene-4-[(E)-2-phenylethenyl]-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 178251657
3-[1-[2-(4-Fluorophenyl)sulfanylacetyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3845473
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl] 2,2,2-trifluoroacetate
CID 46190273
3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 60182066

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one (CID 54507616) is 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one is O=C1OC(Cc2ccccc2)CN1C(CCN1CCOCC1)c1cccs1.
What is the InChIKey of 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is YGVKNEDTTAAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21-23(16-18(26-21)15-17-5-2-1-3-6-17)19(20-7-4-14-27-20)8-9-22-10-12-25-13-11-22/h1-7,14,18-19H,8-13,15-16H2.
What are the key properties of 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one?
5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-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 5-benzyl-3-(3-morpholin-4-yl-1-thiophen-2-ylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54507616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).