1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one

C17H28N2O3 — CID 58374250

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one
SMILESCC(C)(NC1CCOCC1)C(=O)Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C17H28N2O3/c1-16(2,3)15-11-13(19-22-15)10-14(20)17(4,5)18-12-6-8-21-9-7-12/h11-12,18H,6-10H2,1-5H3
InChIKeyLEDBHMOLOMRLBU-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.63
Rot. Bonds5

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one (PubChem CID 58374250) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one
PubChem CID58374250
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one
SMILESCC(C)(NC1CCOCC1)C(=O)Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C17H28N2O3/c1-16(2,3)15-11-13(19-22-15)10-14(20)17(4,5)18-12-6-8-21-9-7-12/h11-12,18H,6-10H2,1-5H3
InChIKeyLEDBHMOLOMRLBU-UHFFFAOYSA-N
XLogP2.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one (CID 58374250) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one is CC(C)(NC1CCOCC1)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-(oxan-4-ylamino)butan-2-one?
The InChIKey is LEDBHMOLOMRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2,3)15-11-13(19-22-15)10-14(20)17(4,5)18-12-6-8-21-9-7-12/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one has a molecular weight of 308.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-(oxan-4-ylamino)butan-2-one is sourced from PubChem (CID 58374250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).