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

C8H12N2O2 — CID 82413377

IUPAC3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
SMILESCC(=O)C(N)Cc1nc(C)co1
InChIInChI=1S/C8H12N2O2/c1-5-4-12-8(10-5)3-7(9)6(2)11/h4,7H,3,9H2,1-2H3
InChIKeyWLAJCRUSWVCUJP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.44
Rot. Bonds3

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

3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one (PubChem CID 82413377) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
PubChem CID82413377
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
SMILESCC(=O)C(N)Cc1nc(C)co1
InChIInChI=1S/C8H12N2O2/c1-5-4-12-8(10-5)3-7(9)6(2)11/h4,7H,3,9H2,1-2H3
InChIKeyWLAJCRUSWVCUJP-UHFFFAOYSA-N
XLogP0.44
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
The IUPAC name of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one (CID 82413377) is 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one.
What is the SMILES notation for 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
The canonical SMILES for 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one is CC(=O)C(N)Cc1nc(C)co1.
What is the InChIKey of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
The InChIKey is WLAJCRUSWVCUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-4-12-8(10-5)3-7(9)6(2)11/h4,7H,3,9H2,1-2H3.
What are the key properties of 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one?
3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methyl-1,3-oxazol-2-yl)butan-2-one is sourced from PubChem (CID 82413377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).