methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate

C15H15NO4 — CID 167921343

IUPACmethyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1cc(C2=CCOCC2)c2oc(C)nc2c1
InChIInChI=1S/C15H15NO4/c1-9-16-13-8-11(15(17)18-2)7-12(14(13)20-9)10-3-5-19-6-4-10/h3,7-8H,4-6H2,1-2H3
InChIKeyPPVVPVGSQBLPPU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.73
Rot. Bonds2

About methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate

methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate (PubChem CID 167921343) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate
PubChem CID167921343
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1cc(C2=CCOCC2)c2oc(C)nc2c1
InChIInChI=1S/C15H15NO4/c1-9-16-13-8-11(15(17)18-2)7-12(14(13)20-9)10-3-5-19-6-4-10/h3,7-8H,4-6H2,1-2H3
InChIKeyPPVVPVGSQBLPPU-UHFFFAOYSA-N
XLogP2.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-(5-formylfuran-2-yl)-2-methyl-1,3-benzoxazole-5-carboxylate
CID 166431194
methyl 8-bromo-2-(3,6-dihydro-2H-pyran-4-yl)quinoxaline-6-carboxylate;methyl 8-bromo-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline-6-carboxylate
CID 158244372
methyl 7-(2,2-dicyanoethenylamino)-2-methyl-1,3-benzoxazole-5-carboxylate
CID 168545389
[3-(3,6-dihydro-2H-pyran-4-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methyl 3-(3,6-dihydro-2H-pyran-4-yl)-4-(2-fluoro-5-methoxyphenyl)benzoate
CID 158931353
methyl 4-amino-3-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrazole-5-carboxylate
CID 167439336
methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate
CID 170755786
2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 4-bromobenzoate;methyl 4-(3,6-dihydro-2H-pyran-4-yl)benzoate
CID 160967033
methyl 7-bromo-2-tert-butyl-1,3-benzoxazole-5-carboxylate
CID 66690849
methyl 4-bromo-2-methyl-1,3-benzoxazole-6-carboxylate
CID 138495450
methyl 2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxylate
CID 126609728
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
dimethyl 6-amino-5-cyano-1-(5-methoxycarbonyl-2-methyl-1,3-benzoxazol-7-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645630

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate (CID 167921343) is methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate is COC(=O)c1cc(C2=CCOCC2)c2oc(C)nc2c1.
What is the InChIKey of methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate?
The InChIKey is PPVVPVGSQBLPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-16-13-8-11(15(17)18-2)7-12(14(13)20-9)10-3-5-19-6-4-10/h3,7-8H,4-6H2,1-2H3.
What are the key properties of methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate?
methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 167921343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).