4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

C20H22N4O5S — CID 54766841

IUPAC4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C20H22N4O5S/c1-2-16-18(30-12-22-16)19(26)21-9-15-10-24(20(27)29-15)14-5-3-13(4-6-14)23-7-8-28-11-17(23)25/h3-6,12,15H,2,7-11H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyNQTWOOZRZCCNTA-HNNXBMFYSA-N
MW430.49 g/mol
LogP1.82
Rot. Bonds6

About 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 54766841) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID54766841
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C20H22N4O5S/c1-2-16-18(30-12-22-16)19(26)21-9-15-10-24(20(27)29-15)14-5-3-13(4-6-14)23-7-8-28-11-17(23)25/h3-6,12,15H,2,7-11H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyNQTWOOZRZCCNTA-HNNXBMFYSA-N
XLogP1.82
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 21027199
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
N-[[3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23441483
4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 67314038
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
4-[4-[5-[(benzylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 71272776
5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 73332698
N-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58137034
benzyl N-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamate
CID 139419850

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 54766841) is 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is CCc1ncsc1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1.
What is the InChIKey of 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NQTWOOZRZCCNTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-2-16-18(30-12-22-16)19(26)21-9-15-10-24(20(27)29-15)14-5-3-13(4-6-14)23-7-8-28-11-17(23)25/h3-6,12,15H,2,7-11H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54766841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).