ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate

C19H21NO3 — CID 90732069

IUPACethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(Cc2cccc3ccccc23)NO1
InChIInChI=1S/C19H21NO3/c1-3-19(18(21)22-4-2)13-16(20-23-19)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyKTYLJJDEDQZFOF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.51
Rot. Bonds5

About ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate

ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate (PubChem CID 90732069) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate
PubChem CID90732069
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(Cc2cccc3ccccc23)NO1
InChIInChI=1S/C19H21NO3/c1-3-19(18(21)22-4-2)13-16(20-23-19)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyKTYLJJDEDQZFOF-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
CID 90781978
Ethyl 3-anthracen-9-yl-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 90874410
ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate
CID 91221494
ethyl 5-ethyl-3-naphthalen-1-yl-2H-1,2-oxazole-5-carboxylate
CID 91611327

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate (CID 90732069) is ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(Cc2cccc3ccccc23)NO1.
What is the InChIKey of ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate?
The InChIKey is KTYLJJDEDQZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-19(18(21)22-4-2)13-16(20-23-19)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-11,13,20H,3-4,12H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate?
ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-(naphthalen-1-ylmethyl)-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 90732069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).