(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one

C22H21N3O3 — CID 96577215

IUPAC(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)c3cc(-c4ccccc4)no3)CC2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-8-10-18(11-9-15)25-13-16(2)24(14-21(25)26)22(27)20-12-19(23-28-20)17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3/t16-/m1/s1
InChIKeyZMGDWZSZQRSJJN-MRXNPFEDSA-N
MW375.43 g/mol
LogP3.53
Rot. Bonds3

About (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one

(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one (PubChem CID 96577215) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
PubChem CID96577215
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)c3cc(-c4ccccc4)no3)CC2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-8-10-18(11-9-15)25-13-16(2)24(14-21(25)26)22(27)20-12-19(23-28-20)17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3/t16-/m1/s1
InChIKeyZMGDWZSZQRSJJN-MRXNPFEDSA-N
XLogP3.53
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5R)-5-methyl-4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96579575
(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119473005
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
5-methyl-1-(4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-2-one
CID 70751338
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582352

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The IUPAC name of (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one (CID 96577215) is (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one is Cc1ccc(N2C[C@@H](C)N(C(=O)c3cc(-c4ccccc4)no3)CC2=O)cc1.
What is the InChIKey of (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
The InChIKey is ZMGDWZSZQRSJJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-8-10-18(11-9-15)25-13-16(2)24(14-21(25)26)22(27)20-12-19(23-28-20)17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one?
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 96577215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).