4-(4-methyl-1,3-oxazol-2-yl)butan-2-one

C8H11NO2 — CID 82416947

IUPAC4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
SMILESCC(=O)CCc1nc(C)co1
InChIInChI=1S/C8H11NO2/c1-6-5-11-8(9-6)4-3-7(2)10/h5H,3-4H2,1-2H3
InChIKeyOFNFGKFBJWNQAK-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.50
Rot. Bonds3

About 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one

4-(4-methyl-1,3-oxazol-2-yl)butan-2-one (PubChem CID 82416947) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
PubChem CID82416947
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
SMILESCC(=O)CCc1nc(C)co1
InChIInChI=1S/C8H11NO2/c1-6-5-11-8(9-6)4-3-7(2)10/h5H,3-4H2,1-2H3
InChIKeyOFNFGKFBJWNQAK-UHFFFAOYSA-N
XLogP1.50
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
The IUPAC name of 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one (CID 82416947) is 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one.
What is the SMILES notation for 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
The canonical SMILES for 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one is CC(=O)CCc1nc(C)co1.
What is the InChIKey of 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
The InChIKey is OFNFGKFBJWNQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-5-11-8(9-6)4-3-7(2)10/h5H,3-4H2,1-2H3.
What are the key properties of 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
4-(4-methyl-1,3-oxazol-2-yl)butan-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-oxazol-2-yl)butan-2-one is sourced from PubChem (CID 82416947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).