(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

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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).