4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one

C8H11NO2 — CID 22016104

IUPAC4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
SMILESC/C=C/C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C8H11NO2/c1-4-5-6-9-8(2,3)7(10)11-6/h4-5H,1-3H3/b5-4+
InChIKeyFBXDMYKUMYUYHT-SNAWJCMRSA-N
MW153.18 g/mol
LogP1.30
Rot. Bonds1

About 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one

4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one (PubChem CID 22016104) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
PubChem CID22016104
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
SMILESC/C=C/C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C8H11NO2/c1-4-5-6-9-8(2,3)7(10)11-6/h4-5H,1-3H3/b5-4+
InChIKeyFBXDMYKUMYUYHT-SNAWJCMRSA-N
XLogP1.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)ethenyl]-trimethylazanium
CID 10058539
2-[8-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)octyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881979
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one;2-methylidenehexanoate
CID 20505705
3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione
CID 6288603
3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione
CID 98570979
(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methylsulfanylmethanethioic S-acid
CID 141100060
3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)benzoic acid
CID 12887256
4,4-dimethyl-2-phenylmethoxy-1,3-oxazol-5-one
CID 57435374
(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl 2-bromo-2-methylpropanoate
CID 20782780
2-[3-(5-hydroxy-4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 146264352
2-[[(R)-diethylamino(sulfanyl)methyl]sulfanylmethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 142955339
(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate
CID 20732710

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one?
The IUPAC name of 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one (CID 22016104) is 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one is C/C=C/C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one?
The InChIKey is FBXDMYKUMYUYHT-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-5-6-9-8(2,3)7(10)11-6/h4-5H,1-3H3/b5-4+.
What are the key properties of 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one?
4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one has a molecular weight of 153.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one is sourced from PubChem (CID 22016104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).