methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate

C17H19NO5 — CID 167839001

IUPACmethyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCOC(=O)C1Cc2ccc(OCc3cc(C(C)C)no3)cc2O1
InChIInChI=1S/C17H19NO5/c1-10(2)14-7-13(23-18-14)9-21-12-5-4-11-6-16(17(19)20-3)22-15(11)8-12/h4-5,7-8,10,16H,6,9H2,1-3H3
InChIKeySFFIXRZATBFTBF-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.85
Rot. Bonds5

About methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate

methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 167839001) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID167839001
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namemethyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCOC(=O)C1Cc2ccc(OCc3cc(C(C)C)no3)cc2O1
InChIInChI=1S/C17H19NO5/c1-10(2)14-7-13(23-18-14)9-21-12-5-4-11-6-16(17(19)20-3)22-15(11)8-12/h4-5,7-8,10,16H,6,9H2,1-3H3
InChIKeySFFIXRZATBFTBF-UHFFFAOYSA-N
XLogP2.85
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate (CID 167839001) is methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate is COC(=O)C1Cc2ccc(OCc3cc(C(C)C)no3)cc2O1.
What is the InChIKey of methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is SFFIXRZATBFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10(2)14-7-13(23-18-14)9-21-12-5-4-11-6-16(17(19)20-3)22-15(11)8-12/h4-5,7-8,10,16H,6,9H2,1-3H3.
What are the key properties of methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate?
methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 167839001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).