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

C8H12N2O2 — CID 82413363

IUPAC3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one
SMILESCc1nc(C(=O)CCN)oc1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)12-8(10-5)7(11)3-4-9/h3-4,9H2,1-2H3
InChIKeyBWYUYCGSXPWNOF-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.82
Rot. Bonds3

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

3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 82413363) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one
PubChem CID82413363
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one
SMILESCc1nc(C(=O)CCN)oc1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)12-8(10-5)7(11)3-4-9/h3-4,9H2,1-2H3
InChIKeyBWYUYCGSXPWNOF-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one (CID 82413363) is 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one is Cc1nc(C(=O)CCN)oc1C.
What is the InChIKey of 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is BWYUYCGSXPWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6(2)12-8(10-5)7(11)3-4-9/h3-4,9H2,1-2H3.
What are the key properties of 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one?
3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 168.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,5-dimethyl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 82413363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).