methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate

C16H23NO3 — CID 114371014

IUPACmethyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C2C3CCCCC32)nc1C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-16(2,3)13-12(15(18)19-4)20-14(17-13)11-9-7-5-6-8-10(9)11/h9-11H,5-8H2,1-4H3
InChIKeyWJKGTIQFMSRXTC-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.66
Rot. Bonds2

About methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate

methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate (PubChem CID 114371014) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate
PubChem CID114371014
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C2C3CCCCC32)nc1C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-16(2,3)13-12(15(18)19-4)20-14(17-13)11-9-7-5-6-8-10(9)11/h9-11H,5-8H2,1-4H3
InChIKeyWJKGTIQFMSRXTC-UHFFFAOYSA-N
XLogP3.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate with MolForge

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Related Compounds

dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953604
methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371958
2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
methyl 2-butyl-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114370828
methyl 4-tert-butyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylate
CID 114370859
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
CID 114371262
methyl 4-tert-butyl-2-(2,5-dimethylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114370876
methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate
CID 114370795
methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114370971
methyl 4-tert-butyl-2-(3,4-dichlorophenyl)-1,3-oxazole-5-carboxylate
CID 114370946
methyl 4-tert-butyl-2-(4-cyanophenyl)-1,3-oxazole-5-carboxylate
CID 114370790

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate (CID 114371014) is methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate is COC(=O)c1oc(C2C3CCCCC32)nc1C(C)(C)C.
What is the InChIKey of methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate?
The InChIKey is WJKGTIQFMSRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)13-12(15(18)19-4)20-14(17-13)11-9-7-5-6-8-10(9)11/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate?
methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).