methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate

C14H13NO3 — CID 139896442

IUPACmethyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C=Cc2ccccc2)oc1C
InChIInChI=1S/C14H13NO3/c1-10-13(14(16)17-2)15-12(18-10)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOKRMTQZHMCWVLM-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.94
Rot. Bonds3

About methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate (PubChem CID 139896442) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
PubChem CID139896442
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C=Cc2ccccc2)oc1C
InChIInChI=1S/C14H13NO3/c1-10-13(14(16)17-2)15-12(18-10)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOKRMTQZHMCWVLM-UHFFFAOYSA-N
XLogP2.94
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 22933228
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate
CID 50915747
ethyl 5-methyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carboxylate
CID 44557518
methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate
CID 162787655
methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate
CID 11043032
acetic acid;stilbene
CID 172803728
5-methoxycarbonyl-3-[(E)-2-phenylethenyl]imidazole-4-carboxylic acid
CID 5373361
2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid
CID 13282954
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
5-methyl-2-[(E)-2-phenylethenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82338003
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate (CID 139896442) is methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C=Cc2ccccc2)oc1C.
What is the InChIKey of methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is OKRMTQZHMCWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-13(14(16)17-2)15-12(18-10)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139896442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).