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

C27H27ClN2O3 — CID 69003781

IUPAC5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H27ClN2O3/c28-25-11-9-24(10-12-25)26-19-30(27(31)33-26)18-21-3-7-23(8-4-21)22-5-1-20(2-6-22)17-29-13-15-32-16-14-29/h1-12,26H,13-19H2
InChIKeyCPYIUDOXAYQFNR-UHFFFAOYSA-N
MW462.98 g/mol
LogP5.53
Rot. Bonds6

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

5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 69003781) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID69003781
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC Name5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H27ClN2O3/c28-25-11-9-24(10-12-25)26-19-30(27(31)33-26)18-21-3-7-23(8-4-21)22-5-1-20(2-6-22)17-29-13-15-32-16-14-29/h1-12,26H,13-19H2
InChIKeyCPYIUDOXAYQFNR-UHFFFAOYSA-N
XLogP5.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (CID 69003781) is 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OC(c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is CPYIUDOXAYQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c28-25-11-9-24(10-12-25)26-19-30(27(31)33-26)18-21-3-7-23(8-4-21)22-5-1-20(2-6-22)17-29-13-15-32-16-14-29/h1-12,26H,13-19H2.
What are the key properties of 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 462.98 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69003781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).