5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one

C23H27ClN2O3 — CID 54219834

IUPAC5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cc2ccccc2Cl)CN1C(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H27ClN2O3/c24-21-9-5-4-8-19(21)16-20-17-26(23(27)29-20)22(18-6-2-1-3-7-18)10-11-25-12-14-28-15-13-25/h1-9,20,22H,10-17H2
InChIKeyQBUFIGRVNRCVFL-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.17
Rot. Bonds7

About 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one

5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one (PubChem CID 54219834) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one
PubChem CID54219834
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cc2ccccc2Cl)CN1C(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H27ClN2O3/c24-21-9-5-4-8-19(21)16-20-17-26(23(27)29-20)22(18-6-2-1-3-7-18)10-11-25-12-14-28-15-13-25/h1-9,20,22H,10-17H2
InChIKeyQBUFIGRVNRCVFL-UHFFFAOYSA-N
XLogP4.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one (CID 54219834) is 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one is O=C1OC(Cc2ccccc2Cl)CN1C(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is QBUFIGRVNRCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c24-21-9-5-4-8-19(21)16-20-17-26(23(27)29-20)22(18-6-2-1-3-7-18)10-11-25-12-14-28-15-13-25/h1-9,20,22H,10-17H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one?
5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 414.93 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54219834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).