(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide

C20H23N3O5 — CID 50851650

IUPAC(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCc2cccnc2)cc1OC
InChIInChI=1S/C20H23N3O5/c1-26-17-6-5-15(10-18(17)27-2)12-23-16(13-28-20(23)25)19(24)22-9-7-14-4-3-8-21-11-14/h3-6,8,10-11,16H,7,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyIWEKRTCMAAAFQY-INIZCTEOSA-N
MW385.42 g/mol
LogP1.78
Rot. Bonds8

About (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide

(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851650) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851650
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCc2cccnc2)cc1OC
InChIInChI=1S/C20H23N3O5/c1-26-17-6-5-15(10-18(17)27-2)12-23-16(13-28-20(23)25)19(24)22-9-7-14-4-3-8-21-11-14/h3-6,8,10-11,16H,7,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyIWEKRTCMAAAFQY-INIZCTEOSA-N
XLogP1.78
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one
CID 10408514
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)acrylamide
CID 1506585
N1-(2,3-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
CID 57527814
N-Benzo[1,3]dioxol-5-ylmethyl-N-(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-3-methoxy-propionamide
CID 655215
N-cyclohexyl-2-(2-methoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide hydrochloride
CID 2969655
N-tert-butyl-2-[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 2973405
2-(2-Methoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide hydrochloride
CID 2974920
N-(tert-butyl)-2-(2-methoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide hydrochloride
CID 2978272
N-cyclohexyl-2-(2-ethoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide
CID 2981848
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 3216342
(S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(1-methyl-1H-pyrrol-2-ylmethyl)-amino]-butan-1-one
CID 44359225
(S)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,3-dimethyl-2-(pyridin-3-ylmethylamino)butan-1-one
CID 44359482

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide (CID 50851650) is (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide is COc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCc2cccnc2)cc1OC.
What is the InChIKey of (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is IWEKRTCMAAAFQY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-26-17-6-5-15(10-18(17)27-2)12-23-16(13-28-20(23)25)19(24)22-9-7-14-4-3-8-21-11-14/h3-6,8,10-11,16H,7,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).