ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate

C22H29NO7 — CID 59550971

IUPACethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)CC1(C(=O)OCC)CC(c2ccc(OC)c(OC3CCCC3)c2)=NO1
InChIInChI=1S/C22H29NO7/c1-4-27-20(24)14-22(21(25)28-5-2)13-17(23-30-22)15-10-11-18(26-3)19(12-15)29-16-8-6-7-9-16/h10-12,16H,4-9,13-14H2,1-3H3
InChIKeyMLPKWVKVPDEVEE-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.40
Rot. Bonds9

About ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate

ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 59550971) has the molecular formula C22H29NO7 and a molecular weight of 419.47 g/mol. Its IUPAC name is ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID59550971
Molecular FormulaC22H29NO7
Molecular Weight419.47 g/mol
Exact Mass419.19
IUPAC Nameethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)CC1(C(=O)OCC)CC(c2ccc(OC)c(OC3CCCC3)c2)=NO1
InChIInChI=1S/C22H29NO7/c1-4-27-20(24)14-22(21(25)28-5-2)13-17(23-30-22)15-10-11-18(26-3)19(12-15)29-16-8-6-7-9-16/h10-12,16H,4-9,13-14H2,1-3H3
InChIKeyMLPKWVKVPDEVEE-UHFFFAOYSA-N
XLogP3.40
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one
CID 59550966
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone
CID 68687679
methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide
CID 11339313
1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one;5-(carboxymethyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylic acid;(NE)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]hydroxylamine;3-(3-cyclopentyloxy-4-methoxyphenyl)-7-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione;ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate;methanamine;methane;bis(methylcyclopentane);4-methylidenehept-6-en-3-one;1-methylpyrrolidine-2,5-dione
CID 172944462
3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
CID 90844099
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765
3-(3-cyclopentyloxy-4-methoxyphenyl)-7-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 59550970
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
CID 57434215
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 86616262
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 11304954
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 59550977

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate (CID 59550971) is ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate is CCOC(=O)CC1(C(=O)OCC)CC(c2ccc(OC)c(OC3CCCC3)c2)=NO1.
What is the InChIKey of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is MLPKWVKVPDEVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO7/c1-4-27-20(24)14-22(21(25)28-5-2)13-17(23-30-22)15-10-11-18(26-3)19(12-15)29-16-8-6-7-9-16/h10-12,16H,4-9,13-14H2,1-3H3.
What are the key properties of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 419.47 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 59550971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).