methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate

C14H23NO4 — CID 114370971

IUPACmethyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCOCC(C)Cc1nc(C(C)(C)C)c(C(=O)OC)o1
InChIInChI=1S/C14H23NO4/c1-9(8-17-5)7-10-15-12(14(2,3)4)11(19-10)13(16)18-6/h9H,7-8H2,1-6H3
InChIKeyDDNKDJUHDRQNIH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.58
Rot. Bonds5

About methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate

methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate (PubChem CID 114370971) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate
PubChem CID114370971
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCOCC(C)Cc1nc(C(C)(C)C)c(C(=O)OC)o1
InChIInChI=1S/C14H23NO4/c1-9(8-17-5)7-10-15-12(14(2,3)4)11(19-10)13(16)18-6/h9H,7-8H2,1-6H3
InChIKeyDDNKDJUHDRQNIH-UHFFFAOYSA-N
XLogP2.58
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953731
methyl 2-butyl-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114370828
2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373709
4-tert-butyl-2-(2,4,4-trimethylpentyl)-1,3-oxazole-5-carboxylic acid
CID 114373050
4-(difluoromethyl)-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 103199052
methyl 4-tert-butyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylate
CID 114370859
methyl 2-(2-methylbutyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114877409
4-tert-butyl-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylic acid
CID 114372698
methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114371014
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-(3,4-dichlorophenyl)-1,3-oxazole-5-carboxylate
CID 114370946

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate (CID 114370971) is methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate is COCC(C)Cc1nc(C(C)(C)C)c(C(=O)OC)o1.
What is the InChIKey of methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is DDNKDJUHDRQNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(8-17-5)7-10-15-12(14(2,3)4)11(19-10)13(16)18-6/h9H,7-8H2,1-6H3.
What are the key properties of methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate?
methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butyl-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114370971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).