3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one

C9H14N2O2 — CID 82407849

IUPAC3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one
SMILESCc1cnc(C(=O)CC(C)(C)N)o1
InChIInChI=1S/C9H14N2O2/c1-6-5-11-8(13-6)7(12)4-9(2,3)10/h5H,4,10H2,1-3H3
InChIKeyWXJMRJVQUVVPSE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one

3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one (PubChem CID 82407849) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one
PubChem CID82407849
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one
SMILESCc1cnc(C(=O)CC(C)(C)N)o1
InChIInChI=1S/C9H14N2O2/c1-6-5-11-8(13-6)7(12)4-9(2,3)10/h5H,4,10H2,1-3H3
InChIKeyWXJMRJVQUVVPSE-UHFFFAOYSA-N
XLogP1.29
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methyl-1,3-oxazole-2-carboxamide
CID 143888813
N,N,5-trimethyl-1,3-oxazole-2-carboxamide
CID 112530587
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
CID 116915783
N-methoxy-5-methyl-1,3-oxazole-2-carboxamide
CID 126994874
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide
CID 84578114
(4-amino-5-methylpyrazol-1-yl)-(5-methyl-1,3-oxazol-2-yl)methanone
CID 112521688
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
CID 112528460
3-amino-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116580990
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one (CID 82407849) is 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one is Cc1cnc(C(=O)CC(C)(C)N)o1.
What is the InChIKey of 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
The InChIKey is WXJMRJVQUVVPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-11-8(13-6)7(12)4-9(2,3)10/h5H,4,10H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one?
3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(5-methyl-1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 82407849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).