4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one

C16H25N3O3 — CID 146124789

IUPAC4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C16H25N3O3/c1-10(2)8-12-14(20)17-6-7-19(12)15(21)11-9-13(22-18-11)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,20)
InChIKeyNULPTQIOFQSQQZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.96
Rot. Bonds3

About 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one

4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 146124789) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID146124789
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C16H25N3O3/c1-10(2)8-12-14(20)17-6-7-19(12)15(21)11-9-13(22-18-11)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,20)
InChIKeyNULPTQIOFQSQQZ-UHFFFAOYSA-N
XLogP1.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 138997378
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 125144591
4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 131960398
(3S)-4-(1-methylimidazole-4-carbonyl)-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 164635145
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122151740
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
CID 136534377
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122153522
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 122151737
4-(4-hydroxyisoquinoline-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 167868714
(2S)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99825783
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565
1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
CID 126816919

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one (CID 146124789) is 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1C(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is NULPTQIOFQSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)8-12-14(20)17-6-7-19(12)15(21)11-9-13(22-18-11)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,20).
What are the key properties of 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 307.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 146124789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).