1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one

C9H13NO2 — CID 54072373

IUPAC1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one
SMILESCc1nc(C)c(C(=O)C(C)C)o1
InChIInChI=1S/C9H13NO2/c1-5(2)8(11)9-6(3)10-7(4)12-9/h5H,1-4H3
InChIKeyMHIPFLUEARMEQQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.13
Rot. Bonds2

About 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one

1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one (PubChem CID 54072373) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one
PubChem CID54072373
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one
SMILESCc1nc(C)c(C(=O)C(C)C)o1
InChIInChI=1S/C9H13NO2/c1-5(2)8(11)9-6(3)10-7(4)12-9/h5H,1-4H3
InChIKeyMHIPFLUEARMEQQ-UHFFFAOYSA-N
XLogP2.13
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one (CID 54072373) is 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one is Cc1nc(C)c(C(=O)C(C)C)o1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one?
The InChIKey is MHIPFLUEARMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5(2)8(11)9-6(3)10-7(4)12-9/h5H,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one?
1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one has a molecular weight of 167.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 54072373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).