tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate

C14H17N3O3 — CID 177033862

IUPACtert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate
SMILESCc1cc(C)nc(-c2cc(C(=O)OC(C)(C)C)on2)n1
InChIInChI=1S/C14H17N3O3/c1-8-6-9(2)16-12(15-8)10-7-11(20-17-10)13(18)19-14(3,4)5/h6-7H,1-5H3
InChIKeyAFIMVABHTZCNMU-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.70
Rot. Bonds2

About tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate

tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate (PubChem CID 177033862) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate
PubChem CID177033862
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nametert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate
SMILESCc1cc(C)nc(-c2cc(C(=O)OC(C)(C)C)on2)n1
InChIInChI=1S/C14H17N3O3/c1-8-6-9(2)16-12(15-8)10-7-11(20-17-10)13(18)19-14(3,4)5/h6-7H,1-5H3
InChIKeyAFIMVABHTZCNMU-UHFFFAOYSA-N
XLogP2.70
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate
CID 174755008
tert-butyl 4-(5-carbamoyl-1,2,4-oxadiazol-3-yl)benzoate
CID 10803353
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
tert-butyl 5-amino-1,2-oxazole-3-carboxylate
CID 102336043
tert-butyl 3,5-dibromo-4-methylbenzoate
CID 118703544
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate
CID 134892147
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65382030
tert-butyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65398469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate?
The IUPAC name of tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate (CID 177033862) is tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate is Cc1cc(C)nc(-c2cc(C(=O)OC(C)(C)C)on2)n1.
What is the InChIKey of tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate?
The InChIKey is AFIMVABHTZCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-6-9(2)16-12(15-8)10-7-11(20-17-10)13(18)19-14(3,4)5/h6-7H,1-5H3.
What are the key properties of tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate?
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 177033862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).