4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one

C23H31N3O4 — CID 77456522

IUPAC4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
SMILESCOc1ccccc1-c1cc(C(=O)N2CC(CC(C)C)NC(=O)C2CC(C)C)no1
InChIInChI=1S/C23H31N3O4/c1-14(2)10-16-13-26(19(11-15(3)4)22(27)24-16)23(28)18-12-21(30-25-18)17-8-6-7-9-20(17)29-5/h6-9,12,14-16,19H,10-11,13H2,1-5H3,(H,24,27)
InChIKeyLALARZVHODGGEK-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.75
Rot. Bonds7

About 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one

4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one (PubChem CID 77456522) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
PubChem CID77456522
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
SMILESCOc1ccccc1-c1cc(C(=O)N2CC(CC(C)C)NC(=O)C2CC(C)C)no1
InChIInChI=1S/C23H31N3O4/c1-14(2)10-16-13-26(19(11-15(3)4)22(27)24-16)23(28)18-12-21(30-25-18)17-8-6-7-9-20(17)29-5/h6-9,12,14-16,19H,10-11,13H2,1-5H3,(H,24,27)
InChIKeyLALARZVHODGGEK-UHFFFAOYSA-N
XLogP3.75
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one (CID 77456522) is 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one is COc1ccccc1-c1cc(C(=O)N2CC(CC(C)C)NC(=O)C2CC(C)C)no1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
The InChIKey is LALARZVHODGGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-14(2)10-16-13-26(19(11-15(3)4)22(27)24-16)23(28)18-12-21(30-25-18)17-8-6-7-9-20(17)29-5/h6-9,12,14-16,19H,10-11,13H2,1-5H3,(H,24,27).
What are the key properties of 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one has a molecular weight of 413.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 77456522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).