(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide

C22H20ClN5O4 — CID 66593208

IUPAC(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide
SMILESC[C@@H]1OCN(C(=O)Nc2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C22H20ClN5O4/c1-14-20(28(13-32-14)22(31)26-17-4-2-15(23)3-5-17)21(30)25-16-6-8-18(9-7-16)27-11-10-24-12-19(27)29/h2-12,14,20H,13H2,1H3,(H,25,30)(H,26,31)/t14-,20+/m0/s1
InChIKeyMRXVLTANYWRRHM-VBKZILBWSA-N
MW453.89 g/mol
LogP3.10
Rot. Bonds4

About (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide

(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide (PubChem CID 66593208) has the molecular formula C22H20ClN5O4 and a molecular weight of 453.89 g/mol. Its IUPAC name is (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide
PubChem CID66593208
Molecular FormulaC22H20ClN5O4
Molecular Weight453.89 g/mol
Exact Mass453.12
IUPAC Name(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide
SMILESC[C@@H]1OCN(C(=O)Nc2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C22H20ClN5O4/c1-14-20(28(13-32-14)22(31)26-17-4-2-15(23)3-5-17)21(30)25-16-6-8-18(9-7-16)27-11-10-24-12-19(27)29/h2-12,14,20H,13H2,1H3,(H,25,30)(H,26,31)/t14-,20+/m0/s1
InChIKeyMRXVLTANYWRRHM-VBKZILBWSA-N
XLogP3.10
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.89
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide
CID 66593440
(1S)-2-N-(4-methylphenyl)-1-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 69497239
(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
CID 68683077
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593480
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
CID 157373957
(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide
CID 71081012
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026021
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methyl-3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 66593240
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-chlorophenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810924

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide?
The IUPAC name of (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide (CID 66593208) is (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide.
What is the SMILES notation for (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide?
The canonical SMILES for (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide is C[C@@H]1OCN(C(=O)Nc2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccc(-n2ccncc2=O)cc1.
What is the InChIKey of (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide?
The InChIKey is MRXVLTANYWRRHM-VBKZILBWSA-N. The full InChI is InChI=1S/C22H20ClN5O4/c1-14-20(28(13-32-14)22(31)26-17-4-2-15(23)3-5-17)21(30)25-16-6-8-18(9-7-16)27-11-10-24-12-19(27)29/h2-12,14,20H,13H2,1H3,(H,25,30)(H,26,31)/t14-,20+/m0/s1.
What are the key properties of (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide?
(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide has a molecular weight of 453.89 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide is sourced from PubChem (CID 66593208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).