1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one

C16H28N2O2 — CID 58374211

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one
SMILESCC(C)N(C)C(C)(C)C(=O)Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H28N2O2/c1-11(2)18(8)16(6,7)13(19)9-12-10-14(20-17-12)15(3,4)5/h10-11H,9H2,1-8H3
InChIKeyZXNMUHSMVDUWLZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.20
Rot. Bonds5

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one (PubChem CID 58374211) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one
PubChem CID58374211
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one
SMILESCC(C)N(C)C(C)(C)C(=O)Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H28N2O2/c1-11(2)18(8)16(6,7)13(19)9-12-10-14(20-17-12)15(3,4)5/h10-11H,9H2,1-8H3
InChIKeyZXNMUHSMVDUWLZ-UHFFFAOYSA-N
XLogP3.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N,N,2,2-tetramethylcyclobutan-1-amine
CID 75536185
trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
CID 56774077
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-one
CID 58374260
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]ethanone
CID 58563751
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[2-(4-fluoropiperidin-1-yl)acetyl]piperidin-2-yl]ethanone
CID 58563777
1-[(2S)-2-[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 58563825
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[2-(4,4-difluoropiperidin-1-yl)acetyl]piperidin-2-yl]ethanone
CID 58563883
2-(5-Tert-butyl-1,2-oxazol-3-yl)-1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-2-yl]ethanone
CID 58563901
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(4,4-difluorocyclohexanecarbonyl)piperidin-2-yl]ethanone
CID 58563904
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-(4,4-difluorocyclohexanecarbonyl)piperidin-2-yl]ethanone
CID 58563920
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]piperidin-2-yl]ethanone
CID 58563992
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-3-methylbutan-2-one
CID 59634243

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one (CID 58374211) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one is CC(C)N(C)C(C)(C)C(=O)Cc1cc(C(C)(C)C)on1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one?
The InChIKey is ZXNMUHSMVDUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)18(8)16(6,7)13(19)9-12-10-14(20-17-12)15(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one has a molecular weight of 280.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one is sourced from PubChem (CID 58374211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).