ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate

C15H14N4O3 — CID 24774502

IUPACethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2cnn(-c3ccccc3)n2)noc1C
InChIInChI=1S/C15H14N4O3/c1-3-21-15(20)13-10(2)22-18-14(13)12-9-16-19(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyHCEDBKRDVVLCND-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.41
Rot. Bonds4

About ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate

ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate (PubChem CID 24774502) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
PubChem CID24774502
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2cnn(-c3ccccc3)n2)noc1C
InChIInChI=1S/C15H14N4O3/c1-3-21-15(20)13-10(2)22-18-14(13)12-9-16-19(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyHCEDBKRDVVLCND-UHFFFAOYSA-N
XLogP2.41
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 10065337
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CID 134367383
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
CID 102309200
ethyl 5-methyl-3-[6-(trifluoromethyl)pyridazin-3-yl]-1,2-oxazole-4-carboxylate
CID 146272918
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7715359
1-[2-(4-methoxyphenyl)-5-[5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazol-4-yl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 24774170
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847490
ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
CID 134588386

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate (CID 24774502) is ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2cnn(-c3ccccc3)n2)noc1C.
What is the InChIKey of ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is HCEDBKRDVVLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-21-15(20)13-10(2)22-18-14(13)12-9-16-19(17-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 24774502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).