2-(2-methylpropyl)-4H-1,3-oxazol-5-one

C7H11NO2 — CID 141051951

IUPAC2-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1=NCC(=O)O1
InChIInChI=1S/C7H11NO2/c1-5(2)3-6-8-4-7(9)10-6/h5H,3-4H2,1-2H3
InChIKeyVAQWONGLRXQCLK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.99
Rot. Bonds2

About 2-(2-methylpropyl)-4H-1,3-oxazol-5-one

2-(2-methylpropyl)-4H-1,3-oxazol-5-one (PubChem CID 141051951) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4H-1,3-oxazol-5-one
PubChem CID141051951
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1=NCC(=O)O1
InChIInChI=1S/C7H11NO2/c1-5(2)3-6-8-4-7(9)10-6/h5H,3-4H2,1-2H3
InChIKeyVAQWONGLRXQCLK-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
CID 366908
2-Isopropyl-4H-oxazol-5-one
CID 536511
5(4H)-Oxazolone, 2-(1,1-dimethylethyl)-
CID 545214
2-Butan-2-yl-4,4-dimethyl-1,3-oxazol-5-one
CID 20781541
2-ethyl-4H-1,3-oxazol-5-one
CID 58390642
2-butyl-4H-1,3-oxazol-5-one
CID 119087763
4,4-Dimethyl-2-(2-methylpropyl)-1,3-oxazol-5-one
CID 141829759
Methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate
CID 142792159
Methyl 2-[(1-methoxy-3-methylbutylidene)amino]acetate
CID 142792160
Ethyl 2-(oxolan-3-ylmethylideneamino)acetate
CID 172612631
(4S)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6713248
(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 14038106

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(2-methylpropyl)-4H-1,3-oxazol-5-one (CID 141051951) is 2-(2-methylpropyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-methylpropyl)-4H-1,3-oxazol-5-one is CC(C)CC1=NCC(=O)O1.
What is the InChIKey of 2-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The InChIKey is VAQWONGLRXQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)3-6-8-4-7(9)10-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4H-1,3-oxazol-5-one?
2-(2-methylpropyl)-4H-1,3-oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 141051951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).