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

C8H11NO3 — CID 67452133

IUPACmethyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C2CC2)=N1
InChIInChI=1S/C8H11NO3/c1-11-8(10)6-4-12-7(9-6)5-2-3-5/h5-6H,2-4H2,1H3
InChIKeyASSODJYRMBAHEV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.37
Rot. Bonds2

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

methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 67452133) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID67452133
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C2CC2)=N1
InChIInChI=1S/C8H11NO3/c1-11-8(10)6-4-12-7(9-6)5-2-3-5/h5-6H,2-4H2,1H3
InChIKeyASSODJYRMBAHEV-UHFFFAOYSA-N
XLogP0.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 67452133) is methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1COC(C2CC2)=N1.
What is the InChIKey of methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ASSODJYRMBAHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-11-8(10)6-4-12-7(9-6)5-2-3-5/h5-6H,2-4H2,1H3.
What are the key properties of methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 67452133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).