2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal

C8H11NO2 — CID 165494573

IUPAC2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal
SMILESCc1cc(C(C)(C)C=O)no1
InChIInChI=1S/C8H11NO2/c1-6-4-7(9-11-6)8(2,3)5-10/h4-5H,1-3H3
InChIKeyFSMMQXPSMUDUEV-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.46
Rot. Bonds2

About 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal

2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal (PubChem CID 165494573) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal
PubChem CID165494573
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal
SMILESCc1cc(C(C)(C)C=O)no1
InChIInChI=1S/C8H11NO2/c1-6-4-7(9-11-6)8(2,3)5-10/h4-5H,1-3H3
InChIKeyFSMMQXPSMUDUEV-UHFFFAOYSA-N
XLogP1.46
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
CID 58221792
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
3-chloro-5-methyl-1,2-oxazole;ethane
CID 168950747
5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole
CID 83907735
cyclopropyl-(5-methyl-1,2-oxazol-3-yl)-(4-methylphenyl)methanol
CID 146331865
5-methyl-3-(2-pyrrolidin-2-ylpropan-2-yl)-1,2-oxazole
CID 83907737
3,5-dimethyl-1,2-oxazole;methane
CID 162114046
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
[iodo-(5-methyl-1,2-oxazol-3-yl)methyl] formate
CID 174977573
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549
potassium 5-methyl-1,2-oxazol-3-olate
CID 23697409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal?
The IUPAC name of 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal (CID 165494573) is 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal.
What is the SMILES notation for 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal?
The canonical SMILES for 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal is Cc1cc(C(C)(C)C=O)no1.
What is the InChIKey of 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal?
The InChIKey is FSMMQXPSMUDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-7(9-11-6)8(2,3)5-10/h4-5H,1-3H3.
What are the key properties of 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal?
2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal has a molecular weight of 153.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanal is sourced from PubChem (CID 165494573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).