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

C20H18N2O3S — CID 69282100

IUPAC(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3csc(C)n3)c2)c1
InChIInChI=1S/C20H18N2O3S/c1-12-21-17(11-26-12)13-5-3-6-14(9-13)18-19(25-20(23)22-18)15-7-4-8-16(10-15)24-2/h3-11,18-19H,1-2H3,(H,22,23)/t18-,19-/m1/s1
InChIKeyUXEFYZOFYKKYLR-RTBURBONSA-N
MW366.44 g/mol
LogP4.65
Rot. Bonds4

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

(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69282100) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69282100
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3csc(C)n3)c2)c1
InChIInChI=1S/C20H18N2O3S/c1-12-21-17(11-26-12)13-5-3-6-14(9-13)18-19(25-20(23)22-18)15-7-4-8-16(10-15)24-2/h3-11,18-19H,1-2H3,(H,22,23)/t18-,19-/m1/s1
InChIKeyUXEFYZOFYKKYLR-RTBURBONSA-N
XLogP4.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 69281903
(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 70958057
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-oxazolidin-2-one
CID 69281800
(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69281889
(4R,5S)-4-(3-bromophenyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69083647
(4R,5R)-5-(3-methoxyphenyl)-4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 70958507
(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 86673405
3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
CID 69281890
(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 144623707
(4R,5R)-4-[3-[2-(4-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093536
(4R,5R)-4-[3-[2-(3-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093599
(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 70958315

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one (CID 69282100) is (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one is COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3csc(C)n3)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UXEFYZOFYKKYLR-RTBURBONSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-21-17(11-26-12)13-5-3-6-14(9-13)18-19(25-20(23)22-18)15-7-4-8-16(10-15)24-2/h3-11,18-19H,1-2H3,(H,22,23)/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 366.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69282100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).