(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one

C21H24N2O3 — CID 10316011

IUPAC(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C[C@@H](N3[C@@H](c4ccccc4)COC3(C)C)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-21(2)23(19(14-26-21)15-7-5-4-6-8-15)18-13-22(20(18)24)16-9-11-17(25-3)12-10-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyWJEAXYKDSIVUOW-RTBURBONSA-N
MW352.43 g/mol
LogP3.22
Rot. Bonds4

About (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one

(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 10316011) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID10316011
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C[C@@H](N3[C@@H](c4ccccc4)COC3(C)C)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-21(2)23(19(14-26-21)15-7-5-4-6-8-15)18-13-22(20(18)24)16-9-11-17(25-3)12-10-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyWJEAXYKDSIVUOW-RTBURBONSA-N
XLogP3.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,8S,8aS)-8-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102024515
(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one
CID 99978732
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
CID 135021339
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 51724484
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
CID 71352528
3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777227
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one (CID 10316011) is (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C[C@@H](N3[C@@H](c4ccccc4)COC3(C)C)C2=O)cc1.
What is the InChIKey of (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is WJEAXYKDSIVUOW-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2)23(19(14-26-21)15-7-5-4-6-8-15)18-13-22(20(18)24)16-9-11-17(25-3)12-10-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one?
(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 10316011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).