3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one

C22H29N3O3 — CID 77456520

IUPAC3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one
SMILESCC(C)CC1CN(C(=O)c2coc(-c3ccccc3)n2)C(CC(C)C)C(=O)N1
InChIInChI=1S/C22H29N3O3/c1-14(2)10-17-12-25(19(11-15(3)4)20(26)23-17)22(27)18-13-28-21(24-18)16-8-6-5-7-9-16/h5-9,13-15,17,19H,10-12H2,1-4H3,(H,23,26)
InChIKeyOWXBDTZVVZEXAR-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.74
Rot. Bonds6

About 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one

3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one (PubChem CID 77456520) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one
PubChem CID77456520
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one
SMILESCC(C)CC1CN(C(=O)c2coc(-c3ccccc3)n2)C(CC(C)C)C(=O)N1
InChIInChI=1S/C22H29N3O3/c1-14(2)10-17-12-25(19(11-15(3)4)20(26)23-17)22(27)18-13-28-21(24-18)16-8-6-5-7-9-16/h5-9,13-15,17,19H,10-12H2,1-4H3,(H,23,26)
InChIKeyOWXBDTZVVZEXAR-UHFFFAOYSA-N
XLogP3.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456701
4-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456618
4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456522
4-methyl-3-(2-methylbutyl)-6-(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-4-ium-2-one
CID 123483882
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
(4aR,8aR)-4-(2-phenyl-1,3-oxazole-4-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97224510
4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 77456582
4-[5-(4-chloro-2-fluorophenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 72661438
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one (CID 77456520) is 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one is CC(C)CC1CN(C(=O)c2coc(-c3ccccc3)n2)C(CC(C)C)C(=O)N1.
What is the InChIKey of 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
The InChIKey is OWXBDTZVVZEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(2)10-17-12-25(19(11-15(3)4)20(26)23-17)22(27)18-13-28-21(24-18)16-8-6-5-7-9-16/h5-9,13-15,17,19H,10-12H2,1-4H3,(H,23,26).
What are the key properties of 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one?
3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one has a molecular weight of 383.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 77456520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).