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

C20H24N2O2 — CID 44591813

IUPAC(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccccc3CN(C)C)cc2)C(=O)O1
InChIInChI=1S/C20H24N2O2/c1-15-12-22(20(23)24-15)13-16-8-10-17(11-9-16)19-7-5-4-6-18(19)14-21(2)3/h4-11,15H,12-14H2,1-3H3/t15-/m1/s1
InChIKeyQVSVPQKKGJCUQS-OAHLLOKOSA-N
MW324.42 g/mol
LogP3.76
Rot. Bonds5

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

(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591813) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591813
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccccc3CN(C)C)cc2)C(=O)O1
InChIInChI=1S/C20H24N2O2/c1-15-12-22(20(23)24-15)13-16-8-10-17(11-9-16)19-7-5-4-6-18(19)14-21(2)3/h4-11,15H,12-14H2,1-3H3/t15-/m1/s1
InChIKeyQVSVPQKKGJCUQS-OAHLLOKOSA-N
XLogP3.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenpipalone
CID 30822
(S)-ethyl biphenyl-2-ylmethyl(pyrrolidin-3-yl)carbamate
CID 24962988
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(R)-3-((4''-chlorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173778
Biphenyl-2-ylmethyl-(R)-pyrrolidin-3-yl-carbamic acid ethyl ester
CID 44578271
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic acid isopropyl ester
CID 44578370
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591813) is (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccccc3CN(C)C)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is QVSVPQKKGJCUQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-12-22(20(23)24-15)13-16-8-10-17(11-9-16)19-7-5-4-6-18(19)14-21(2)3/h4-11,15H,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-[2-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).