ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone

C10H19NO2 — CID 144886330

IUPACethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCC.CC.CC(=O)c1cc(C)on1
InChIInChI=1S/C6H7NO2.2C2H6/c1-4-3-6(5(2)8)7-9-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyBWTMTJMJBTUDJY-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.24
Rot. Bonds1

About ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone

ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 144886330) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID144886330
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCC.CC.CC(=O)c1cc(C)on1
InChIInChI=1S/C6H7NO2.2C2H6/c1-4-3-6(5(2)8)7-9-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyBWTMTJMJBTUDJY-UHFFFAOYSA-N
XLogP3.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 2745414
cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 83681907
(E)-4-hydroxy-4-(5-methyl-1,2-oxazol-3-yl)-3-nitrosobut-3-en-2-one
CID 135692674
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
CID 161184426
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
3-[(2E,4E)-5-chlorohexa-2,4-dien-2-yl]-5-methyl-1,2-oxazole
CID 89381400
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 144886330) is ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone is CC.CC.CC(=O)c1cc(C)on1.
What is the InChIKey of ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is BWTMTJMJBTUDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.2C2H6/c1-4-3-6(5(2)8)7-9-4;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone?
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 185.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 144886330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).