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

C7H10N2O2 — CID 82416682

IUPAC4-amino-1-(1,2-oxazol-3-yl)butan-1-one
SMILESNCCCC(=O)c1ccon1
InChIInChI=1S/C7H10N2O2/c8-4-1-2-7(10)6-3-5-11-9-6/h3,5H,1-2,4,8H2
InChIKeyJSNGCALJNODAHM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.60
Rot. Bonds4

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

4-amino-1-(1,2-oxazol-3-yl)butan-1-one (PubChem CID 82416682) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-amino-1-(1,2-oxazol-3-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(1,2-oxazol-3-yl)butan-1-one
PubChem CID82416682
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-amino-1-(1,2-oxazol-3-yl)butan-1-one
SMILESNCCCC(=O)c1ccon1
InChIInChI=1S/C7H10N2O2/c8-4-1-2-7(10)6-3-5-11-9-6/h3,5H,1-2,4,8H2
InChIKeyJSNGCALJNODAHM-UHFFFAOYSA-N
XLogP0.60
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 153399950
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
N-(4-amino-4-sulfanylidenebutyl)-1,2-oxazole-3-carboxamide
CID 62666020
4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725
6-(1,2-oxazol-3-yl)-7-oxohept-5-enoic acid
CID 57218365
N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate
CID 160647596
24-methylpentacosyl 1,2-oxazole-3-carboxylate
CID 174907078
6-(1,2-oxazol-3-yl)hexanamide
CID 90927084
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
1,2-oxazole-3-carboxylic acid;prop-1-ene
CID 161083029

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,2-oxazol-3-yl)butan-1-one?
The IUPAC name of 4-amino-1-(1,2-oxazol-3-yl)butan-1-one (CID 82416682) is 4-amino-1-(1,2-oxazol-3-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(1,2-oxazol-3-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(1,2-oxazol-3-yl)butan-1-one is NCCCC(=O)c1ccon1.
What is the InChIKey of 4-amino-1-(1,2-oxazol-3-yl)butan-1-one?
The InChIKey is JSNGCALJNODAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-4-1-2-7(10)6-3-5-11-9-6/h3,5H,1-2,4,8H2.
What are the key properties of 4-amino-1-(1,2-oxazol-3-yl)butan-1-one?
4-amino-1-(1,2-oxazol-3-yl)butan-1-one has a molecular weight of 154.17 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,2-oxazol-3-yl)butan-1-one is sourced from PubChem (CID 82416682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).