methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate

C14H20N4O3 — CID 103105862

IUPACmethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H20N4O3/c1-6-9-12(13(19)20-5)16-17-18(9)8-11-15-7-10(21-11)14(2,3)4/h7H,6,8H2,1-5H3
InChIKeyRAUYJSVAFMNZMG-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.96
Rot. Bonds4

About methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate

methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate (PubChem CID 103105862) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate
PubChem CID103105862
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H20N4O3/c1-6-9-12(13(19)20-5)16-17-18(9)8-11-15-7-10(21-11)14(2,3)4/h7H,6,8H2,1-5H3
InChIKeyRAUYJSVAFMNZMG-UHFFFAOYSA-N
XLogP1.96
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate?
The IUPAC name of methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate (CID 103105862) is methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate?
The canonical SMILES for methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate is CCc1c(C(=O)OC)nnn1Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate?
The InChIKey is RAUYJSVAFMNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-6-9-12(13(19)20-5)16-17-18(9)8-11-15-7-10(21-11)14(2,3)4/h7H,6,8H2,1-5H3.
What are the key properties of methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate?
methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate is sourced from PubChem (CID 103105862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).