[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate

C20H26N2O5 — CID 90729149

IUPAC[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
SMILES[H]/N=C(\COC(C)=O)C1(C)C=C(c2ccc(OC)c(OC3CCCC3)c2)NO1
InChIInChI=1S/C20H26N2O5/c1-13(23)25-12-19(21)20(2)11-16(22-27-20)14-8-9-17(24-3)18(10-14)26-15-6-4-5-7-15/h8-11,15,21-22H,4-7,12H2,1-3H3/b21-19+
InChIKeyOWJHYBCVOVVTSA-XUTLUUPISA-N
MW374.44 g/mol
LogP3.23
Rot. Bonds7

About [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate

[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate (PubChem CID 90729149) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate.

Molecular Properties

Compound Name[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
PubChem CID90729149
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
SMILES[H]/N=C(\COC(C)=O)C1(C)C=C(c2ccc(OC)c(OC3CCCC3)c2)NO1
InChIInChI=1S/C20H26N2O5/c1-13(23)25-12-19(21)20(2)11-16(22-27-20)14-8-9-17(24-3)18(10-14)26-15-6-4-5-7-15/h8-11,15,21-22H,4-7,12H2,1-3H3/b21-19+
InChIKeyOWJHYBCVOVVTSA-XUTLUUPISA-N
XLogP3.23
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91432284
1-[5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-ethyl-2-methyl-1,3,4-oxadiazol-3-yl]ethanone
CID 91117618
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
CID 91531973
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
4-amino-3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 90794181
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 90770857
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
CID 91434651
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate?
The IUPAC name of [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate (CID 90729149) is [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate.
What is the SMILES notation for [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate?
The canonical SMILES for [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate is [H]/N=C(\COC(C)=O)C1(C)C=C(c2ccc(OC)c(OC3CCCC3)c2)NO1.
What is the InChIKey of [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate?
The InChIKey is OWJHYBCVOVVTSA-XUTLUUPISA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13(23)25-12-19(21)20(2)11-16(22-27-20)14-8-9-17(24-3)18(10-14)26-15-6-4-5-7-15/h8-11,15,21-22H,4-7,12H2,1-3H3/b21-19+.
What are the key properties of [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate?
[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate has a molecular weight of 374.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate is sourced from PubChem (CID 90729149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).