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

C18H17NO4 — CID 102309206

IUPACethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2c(OC)ccc3ccccc23)noc1C
InChIInChI=1S/C18H17NO4/c1-4-22-18(20)15-11(2)23-19-17(15)16-13-8-6-5-7-12(13)9-10-14(16)21-3/h5-10H,4H2,1-3H3
InChIKeyMPWAGKCITOXUSJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.99
Rot. Bonds4

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

ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 102309206) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID102309206
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2c(OC)ccc3ccccc23)noc1C
InChIInChI=1S/C18H17NO4/c1-4-22-18(20)15-11(2)23-19-17(15)16-13-8-6-5-7-12(13)9-10-14(16)21-3/h5-10H,4H2,1-3H3
InChIKeyMPWAGKCITOXUSJ-UHFFFAOYSA-N
XLogP3.99
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
CID 102309200
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propanoic acid
CID 118596119
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
5-(2-methoxynaphthalen-1-yl)-2H-triazole-4-carboxamide
CID 169402068
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-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
ethyl 2-[5-formyl-6-(2-methoxynaphthalen-1-yl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3414869
4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
CID 62082718

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate (CID 102309206) is ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2c(OC)ccc3ccccc23)noc1C.
What is the InChIKey of ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is MPWAGKCITOXUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-4-22-18(20)15-11(2)23-19-17(15)16-13-8-6-5-7-12(13)9-10-14(16)21-3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 102309206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).