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

C11H11NO3 — CID 10774602

IUPACmethyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyXSGFHHRNCZXWPK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.35
Rot. Bonds2

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

methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 10774602) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID10774602
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyXSGFHHRNCZXWPK-UHFFFAOYSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 10774602) is methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is XSGFHHRNCZXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 10774602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).