(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione

C19H23N3O3 — CID 165422011

IUPAC(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cc(-c3ccc(C)cc3)no2)[C@H](C)C1=O
InChIInChI=1S/C19H23N3O3/c1-4-9-21-12-18(23)22(14(3)19(21)24)11-16-10-17(20-25-16)15-7-5-13(2)6-8-15/h5-8,10,14H,4,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyBOLZOAHTWNMALP-CQSZACIVSA-N
MW341.41 g/mol
LogP2.62
Rot. Bonds5

About (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione

(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione (PubChem CID 165422011) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
PubChem CID165422011
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cc(-c3ccc(C)cc3)no2)[C@H](C)C1=O
InChIInChI=1S/C19H23N3O3/c1-4-9-21-12-18(23)22(14(3)19(21)24)11-16-10-17(20-25-16)15-7-5-13(2)6-8-15/h5-8,10,14H,4,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyBOLZOAHTWNMALP-CQSZACIVSA-N
XLogP2.62
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione with MolForge

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Related Compounds

(3S)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165418780
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
(3aS,7aR)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98423947
(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 165425308
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166226934
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 165418936
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165423592
(3S)-1-(2-methoxyethyl)-3-methyl-4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazine-2,5-dione
CID 165420687
formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione
CID 166599318

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione (CID 165422011) is (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cc(-c3ccc(C)cc3)no2)[C@H](C)C1=O.
What is the InChIKey of (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione?
The InChIKey is BOLZOAHTWNMALP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-9-21-12-18(23)22(14(3)19(21)24)11-16-10-17(20-25-16)15-7-5-13(2)6-8-15/h5-8,10,14H,4,9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione?
(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione has a molecular weight of 341.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165422011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).