4-methyl-2-propyl-2H-1,3-oxazol-5-one

C7H11NO2 — CID 141014885

IUPAC4-methyl-2-propyl-2H-1,3-oxazol-5-one
SMILESCCCC1N=C(C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-3-4-6-8-5(2)7(9)10-6/h6H,3-4H2,1-2H3
InChIKeyZOQRNZZALOZCAA-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.13
Rot. Bonds2

About 4-methyl-2-propyl-2H-1,3-oxazol-5-one

4-methyl-2-propyl-2H-1,3-oxazol-5-one (PubChem CID 141014885) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-methyl-2-propyl-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-propyl-2H-1,3-oxazol-5-one
PubChem CID141014885
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-methyl-2-propyl-2H-1,3-oxazol-5-one
SMILESCCCC1N=C(C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-3-4-6-8-5(2)7(9)10-6/h6H,3-4H2,1-2H3
InChIKeyZOQRNZZALOZCAA-UHFFFAOYSA-N
XLogP1.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
CID 59112144
(2R)-3,4-difluoro-2-propyl-2H-furan-5-one
CID 125489195
(1R,4R,5R)-4-propyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 10011998
4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione
CID 175770284
2-propyl-1,3-benzodioxole;hydrochloride
CID 172752983
(2R)-4-methyl-5-oxo-2-pentyl-2H-furan-3-carboxylic acid
CID 26210710
4-(1-hydroxyethyl)-3-propyloxetan-2-one
CID 139924529
3-butyloxiran-2-one
CID 18762090
(2R)-2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
CID 5325922
(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
CID 102372571
2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
CID 86111368
3-butyl-7-hydroxy-3H-2-benzofuran-1-one
CID 10679779

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-2H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-propyl-2H-1,3-oxazol-5-one (CID 141014885) is 4-methyl-2-propyl-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-propyl-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-propyl-2H-1,3-oxazol-5-one is CCCC1N=C(C)C(=O)O1.
What is the InChIKey of 4-methyl-2-propyl-2H-1,3-oxazol-5-one?
The InChIKey is ZOQRNZZALOZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-6-8-5(2)7(9)10-6/h6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-2H-1,3-oxazol-5-one?
4-methyl-2-propyl-2H-1,3-oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-2H-1,3-oxazol-5-one is sourced from PubChem (CID 141014885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).