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

C12H11NO4 — CID 5324203

IUPACmethyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C12H11NO4/c1-15-12(14)10-7-11(13-17-10)16-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyRONHWSHWVRBGFV-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.04
Rot. Bonds4

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

methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate (PubChem CID 5324203) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate
PubChem CID5324203
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C12H11NO4/c1-15-12(14)10-7-11(13-17-10)16-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyRONHWSHWVRBGFV-UHFFFAOYSA-N
XLogP2.04
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate (CID 5324203) is methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate is COC(=O)c1cc(OCc2ccccc2)no1.
What is the InChIKey of methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate?
The InChIKey is RONHWSHWVRBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-15-12(14)10-7-11(13-17-10)16-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate?
methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenylmethoxy-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 5324203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).