ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate

C14H15NO3 — CID 12708704

IUPACethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Cc2ccccc2)nc1C
InChIInChI=1S/C14H15NO3/c1-3-17-14(16)13-10(2)15-12(18-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyDSMUKGPEMLMNKG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate

ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 12708704) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID12708704
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(Cc2ccccc2)nc1C
InChIInChI=1S/C14H15NO3/c1-3-17-14(16)13-10(2)15-12(18-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyDSMUKGPEMLMNKG-UHFFFAOYSA-N
XLogP2.75
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate (CID 12708704) is ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(Cc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is DSMUKGPEMLMNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-17-14(16)13-10(2)15-12(18-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 12708704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).