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

C16H22N2O3 — CID 58297251

IUPAC3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
SMILESCc1ncc(C(C)(C)c2cc(CC(=O)C(C)(C)C)on2)o1
InChIInChI=1S/C16H22N2O3/c1-10-17-9-14(20-10)16(5,6)12-7-11(21-18-12)8-13(19)15(2,3)4/h7,9H,8H2,1-6H3
InChIKeyDQZZNQGDOJPGMX-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.45
Rot. Bonds4

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

3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one (PubChem CID 58297251) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
PubChem CID58297251
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
SMILESCc1ncc(C(C)(C)c2cc(CC(=O)C(C)(C)C)on2)o1
InChIInChI=1S/C16H22N2O3/c1-10-17-9-14(20-10)16(5,6)12-7-11(21-18-12)8-13(19)15(2,3)4/h7,9H,8H2,1-6H3
InChIKeyDQZZNQGDOJPGMX-UHFFFAOYSA-N
XLogP3.45
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The IUPAC name of 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one (CID 58297251) is 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one is Cc1ncc(C(C)(C)c2cc(CC(=O)C(C)(C)C)on2)o1.
What is the InChIKey of 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The InChIKey is DQZZNQGDOJPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-17-9-14(20-10)16(5,6)12-7-11(21-18-12)8-13(19)15(2,3)4/h7,9H,8H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one has a molecular weight of 290.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one is sourced from PubChem (CID 58297251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).