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

C6H9NO3 — CID 57217453

IUPACmethyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCOC(=O)C1=CC(C)ON1
InChIInChI=1S/C6H9NO3/c1-4-3-5(7-10-4)6(8)9-2/h3-4,7H,1-2H3
InChIKeyGMTFUUJTUCGCDN-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.03
Rot. Bonds1

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

methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 57217453) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID57217453
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCOC(=O)C1=CC(C)ON1
InChIInChI=1S/C6H9NO3/c1-4-3-5(7-10-4)6(8)9-2/h3-4,7H,1-2H3
InChIKeyGMTFUUJTUCGCDN-UHFFFAOYSA-N
XLogP-0.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (Z)-2-aminopent-2-enoate
CID 12541122
Talarofuranone
CID 170989506
ethyl (Z)-2-amino-4-oxopent-2-enoate
CID 13759273
4-amino-2-methyl-2H-furan-5-one
CID 14525642
Methyl 2-amino-4-oxopent-2-enoate
CID 55289759
(2R)-4-amino-2-methyl-2H-furan-5-one
CID 55290683
methyl (Z)-2-aminopent-2-enoate
CID 55291067
Ethyl 2-(methoxyamino)-4-oxopent-2-enoate
CID 57035771
Ethyl 2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57140746
Ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57243865
Methyl 2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57291578
Ethyl 5-(bromomethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57294005

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate (CID 57217453) is methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate is COC(=O)C1=CC(C)ON1.
What is the InChIKey of methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is GMTFUUJTUCGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-3-5(7-10-4)6(8)9-2/h3-4,7H,1-2H3.
What are the key properties of methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57217453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).