(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione

C20H25N3O4 — CID 165420687

IUPAC(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2nc(-c3ccc(C)cc3)oc2C)[C@@H](C)C1=O
InChIInChI=1S/C20H25N3O4/c1-13-5-7-16(8-6-13)19-21-17(15(3)27-19)11-23-14(2)20(25)22(9-10-26-4)12-18(23)24/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyKYUQVPYQYHFQSS-AWEZNQCLSA-N
MW371.44 g/mol
LogP2.16
Rot. Bonds6

About (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione

(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione (PubChem CID 165420687) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione
PubChem CID165420687
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2nc(-c3ccc(C)cc3)oc2C)[C@@H](C)C1=O
InChIInChI=1S/C20H25N3O4/c1-13-5-7-16(8-6-13)19-21-17(15(3)27-19)11-23-14(2)20(25)22(9-10-26-4)12-18(23)24/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyKYUQVPYQYHFQSS-AWEZNQCLSA-N
XLogP2.16
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione?
The IUPAC name of (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione (CID 165420687) is (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione is COCCN1CC(=O)N(Cc2nc(-c3ccc(C)cc3)oc2C)[C@@H](C)C1=O.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione?
The InChIKey is KYUQVPYQYHFQSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-5-7-16(8-6-13)19-21-17(15(3)27-19)11-23-14(2)20(25)22(9-10-26-4)12-18(23)24/h5-8,14H,9-12H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione?
(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione has a molecular weight of 371.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 165420687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).