methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C7H11NO3 — CID 20588522

IUPACmethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1C
InChIInChI=1S/C7H11NO3/c1-4-6(7(9)10-3)8-5(2)11-4/h4,6H,1-3H3
InChIKeyGAOPDRMSQFVYHK-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.37
Rot. Bonds1

About methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 20588522) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID20588522
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1C
InChIInChI=1S/C7H11NO3/c1-4-6(7(9)10-3)8-5(2)11-4/h4,6H,1-3H3
InChIKeyGAOPDRMSQFVYHK-UHFFFAOYSA-N
XLogP0.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4,5-dihydro-1,3-oxazole-4-carboxylate
CID 54327806
4-Ethoxycarbonyl-2-methyl-2-oxazoline
CID 538229
Methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10844497
Methyl 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 129175199
methyl (4S)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928452
(2S)-Ethyl-4-methyl-3,5-oxazolinecarboxylate
CID 10953777
Trans-methyl 5-methyl-4,5-dihydrooxazole-4-carboxylate
CID 14176449
Methyl (4R,5R)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14176450
(4S,5S)-Methyl 5-methyl-4,5-dihydrooxazole-4-carboxylate
CID 14176451
Ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 44720605
Methyl 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 75480505
methyl (4S)-2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 97184619

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 20588522) is methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(C)OC1C.
What is the InChIKey of methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is GAOPDRMSQFVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-6(7(9)10-3)8-5(2)11-4/h4,6H,1-3H3.
What are the key properties of methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 20588522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).