ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate

C19H19NO4 — CID 91221494

IUPACethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(C(=O)c2cccc3ccccc23)NO1
InChIInChI=1S/C19H19NO4/c1-3-19(18(22)23-4-2)12-16(20-24-19)17(21)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,20H,3-4H2,1-2H3
InChIKeyUVYPYMWSUMFSBW-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.15
Rot. Bonds5

About ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate

ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate (PubChem CID 91221494) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate
PubChem CID91221494
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(C(=O)c2cccc3ccccc23)NO1
InChIInChI=1S/C19H19NO4/c1-3-19(18(22)23-4-2)12-16(20-24-19)17(21)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,20H,3-4H2,1-2H3
InChIKeyUVYPYMWSUMFSBW-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-(methoxyamino)-6-naphthalen-2-yl-6-oxohex-4-enoate
CID 57283678
ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate
CID 90732069
ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
CID 90781978
ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate
CID 91316572
ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate
CID 91611327
Tert-butyl 2-[(3,4-dioxonaphthalen-2-yl)amino]oxyacetate
CID 142672629

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate (CID 91221494) is ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(C(=O)c2cccc3ccccc23)NO1.
What is the InChIKey of ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate?
The InChIKey is UVYPYMWSUMFSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-19(18(22)23-4-2)12-16(20-24-19)17(21)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,20H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 91221494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).