4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one

C10H12N2O4 — CID 23054506

IUPAC4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(C(C)C2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C10H12N2O4/c1-4(7-11-5(2)9(13)15-7)8-12-6(3)10(14)16-8/h4-6H,1-3H3
InChIKeyUDGZISKCPZEFMK-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.31
Rot. Bonds2

About 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one

4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (PubChem CID 23054506) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
PubChem CID23054506
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(C(C)C2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C10H12N2O4/c1-4(7-11-5(2)9(13)15-7)8-12-6(3)10(14)16-8/h4-6H,1-3H3
InChIKeyUDGZISKCPZEFMK-UHFFFAOYSA-N
XLogP0.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-Methyl 2-isopropyl-4,5-dihydrooxazole-4-carboxylate
CID 45096525
4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 19078043
4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
CID 19881962
2-[(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881964
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881965
2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881980
2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 23054501
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 23056147
2-[1-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 53983662
methyl (4S)-2-[[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 140032937
methyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 140032941
4,4-dimethyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)propan-2-yl]-1,3-oxazol-5-one;ethane
CID 141893410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (CID 23054506) is 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is CC1N=C(C(C)C2=NC(C)C(=O)O2)OC1=O.
What is the InChIKey of 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The InChIKey is UDGZISKCPZEFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-4(7-11-5(2)9(13)15-7)8-12-6(3)10(14)16-8/h4-6H,1-3H3.
What are the key properties of 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one has a molecular weight of 224.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 23054506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).