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

C17H16ClNO2 — CID 25173778

IUPAC(5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1
InChIInChI=1S/C17H16ClNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyLLPGTFFQQAMTJG-GFCCVEGCSA-N
MW301.77 g/mol
LogP4.35
Rot. Bonds3

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

(5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 25173778) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID25173778
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1
InChIInChI=1S/C17H16ClNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyLLPGTFFQQAMTJG-GFCCVEGCSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150200
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 42629118
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(R)-3-((2''-chlorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591715
(R)-3-((3''-chlorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591744
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134144946
(4S)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134148211
(5R)-3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591812

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 25173778) is (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is LLPGTFFQQAMTJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 301.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(4-chlorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25173778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).