(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate

C18H20N2O4 — CID 2563593

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
SMILESO=C(CN1CCCCCC1=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H20N2O4/c21-17-9-5-2-6-10-20(17)12-18(22)23-13-16-19-11-15(24-16)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2
InChIKeyLHTPJOFNQYAFCH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.79
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate (PubChem CID 2563593) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
PubChem CID2563593
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
SMILESO=C(CN1CCCCCC1=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H20N2O4/c21-17-9-5-2-6-10-20(17)12-18(22)23-13-16-19-11-15(24-16)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2
InChIKeyLHTPJOFNQYAFCH-UHFFFAOYSA-N
XLogP2.79
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate (CID 2563593) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate is O=C(CN1CCCCCC1=O)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is LHTPJOFNQYAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17-9-5-2-6-10-20(17)12-18(22)23-13-16-19-11-15(24-16)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 328.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 2563593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).