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

C18H17NO3 — CID 102309200

IUPACethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2c(C)ccc3ccccc23)noc1C
InChIInChI=1S/C18H17NO3/c1-4-21-18(20)16-12(3)22-19-17(16)15-11(2)9-10-13-7-5-6-8-14(13)15/h5-10H,4H2,1-3H3
InChIKeyPYOIWQFPOBEQBD-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.29
Rot. Bonds3

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

ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate (PubChem CID 102309200) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
PubChem CID102309200
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2c(C)ccc3ccccc23)noc1C
InChIInChI=1S/C18H17NO3/c1-4-21-18(20)16-12(3)22-19-17(16)15-11(2)9-10-13-7-5-6-8-14(13)15/h5-10H,4H2,1-3H3
InChIKeyPYOIWQFPOBEQBD-UHFFFAOYSA-N
XLogP4.29
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
naphthalen-1-ylmethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7825430
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
CID 24774502
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 3-(10-bromoanthracen-9-yl)-5-(2-phenylethyl)-1,2-oxazole-4-carboxylate
CID 13009940

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate (CID 102309200) is ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2c(C)ccc3ccccc23)noc1C.
What is the InChIKey of ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is PYOIWQFPOBEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-4-21-18(20)16-12(3)22-19-17(16)15-11(2)9-10-13-7-5-6-8-14(13)15/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 102309200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).