(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C16H17N3O3S — CID 50851924

IUPAC(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1COC(=O)N1Cc1nccs1
InChIInChI=1S/C16H17N3O3S/c20-15(18-7-6-12-4-2-1-3-5-12)13-11-22-16(21)19(13)10-14-17-8-9-23-14/h1-5,8-9,13H,6-7,10-11H2,(H,18,20)/t13-/m0/s1
InChIKeyICFZUVJNWBDZSR-ZDUSSCGKSA-N
MW331.40 g/mol
LogP1.82
Rot. Bonds6

About (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851924) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851924
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1COC(=O)N1Cc1nccs1
InChIInChI=1S/C16H17N3O3S/c20-15(18-7-6-12-4-2-1-3-5-12)13-11-22-16(21)19(13)10-14-17-8-9-23-14/h1-5,8-9,13H,6-7,10-11H2,(H,18,20)/t13-/m0/s1
InChIKeyICFZUVJNWBDZSR-ZDUSSCGKSA-N
XLogP1.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851621
(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851295
(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851690
(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851192
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250
(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851650
(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851673
(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851590
(4S)-N-(2-methoxyethyl)-2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851159
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851924) is (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is O=C(NCCc1ccccc1)[C@@H]1COC(=O)N1Cc1nccs1.
What is the InChIKey of (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is ICFZUVJNWBDZSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-15(18-7-6-12-4-2-1-3-5-12)13-11-22-16(21)19(13)10-14-17-8-9-23-14/h1-5,8-9,13H,6-7,10-11H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).