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

C8H12N2O2 — CID 83827043

IUPAC2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one
SMILESCCc1cc(C(=O)C(C)N)no1
InChIInChI=1S/C8H12N2O2/c1-3-6-4-7(10-12-6)8(11)5(2)9/h4-5H,3,9H2,1-2H3
InChIKeyAKXCHKCTGXKYHA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.77
Rot. Bonds3

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

2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one (PubChem CID 83827043) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one
PubChem CID83827043
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one
SMILESCCc1cc(C(=O)C(C)N)no1
InChIInChI=1S/C8H12N2O2/c1-3-6-4-7(10-12-6)8(11)5(2)9/h4-5H,3,9H2,1-2H3
InChIKeyAKXCHKCTGXKYHA-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
(3-Propylisoxazol-5-yl)methanamine
CID 6484232
1-(5-Methyl-1,2-oxazol-3-yl)propan-1-one
CID 53403015
2-(5-Cyclopropyl-1,2-oxazol-3-yl)ethan-1-amine
CID 82074673
1-(5-Aminoisoxazol-3-yl)propan-1-one
CID 101562374
(3-Propyl-1,2-oxazol-5-yl)methanamine hydrochloride
CID 46736471
2-(5-Methyl-1,2-oxazol-3-yl)ethan-1-amine hydrochloride
CID 75464927
2-(5-Tert-butyl-1,2-oxazol-3-yl)ethan-1-amine
CID 83827066
2-(3-Ethyl-1,2-oxazol-5-yl)ethan-1-amine hydrochloride
CID 165945981
2-(5-Methylisoxazol-3-yl)ethanamine
CID 28808461
1-(3-Methyl-1,2-oxazol-5-yl)ethan-1-amine
CID 67284557
4,4,4-Trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
CID 161184426

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one?
The IUPAC name of 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one (CID 83827043) is 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one is CCc1cc(C(=O)C(C)N)no1.
What is the InChIKey of 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one?
The InChIKey is AKXCHKCTGXKYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-4-7(10-12-6)8(11)5(2)9/h4-5H,3,9H2,1-2H3.
What are the key properties of 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one?
2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one has a molecular weight of 168.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one is sourced from PubChem (CID 83827043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).