(2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C19H17NO4 — CID 4790357

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4/c1-3-16-18(12(2)24-20-16)19(22)23-11-17(21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3
InChIKeyFMMZFMBUDCBUSK-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.74
Rot. Bonds5

About (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

(2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 4790357) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID4790357
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4/c1-3-16-18(12(2)24-20-16)19(22)23-11-17(21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3
InChIKeyFMMZFMBUDCBUSK-UHFFFAOYSA-N
XLogP3.74
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 4790357) is (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is FMMZFMBUDCBUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-16-18(12(2)24-20-16)19(22)23-11-17(21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
(2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4790357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).