1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C30H43N3O7 — CID 91324963

IUPAC1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2=CC(C(=O)CN3CCC(CO)CC3)(C(=O)N3CCCCC3CO)ON2)cc1OC1CCCC1
InChIInChI=1S/C30H43N3O7/c1-38-26-10-9-22(16-27(26)39-24-7-2-3-8-24)25-17-30(40-31-25,29(37)33-13-5-4-6-23(33)20-35)28(36)18-32-14-11-21(19-34)12-15-32/h9-10,16-17,21,23-24,31,34-35H,2-8,11-15,18-20H2,1H3
InChIKeyRKQRCDGXWGALKG-UHFFFAOYSA-N
MW557.69 g/mol
LogP2.28
Rot. Bonds10

About 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 91324963) has the molecular formula C30H43N3O7 and a molecular weight of 557.69 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID91324963
Molecular FormulaC30H43N3O7
Molecular Weight557.69 g/mol
Exact Mass557.31
IUPAC Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2=CC(C(=O)CN3CCC(CO)CC3)(C(=O)N3CCCCC3CO)ON2)cc1OC1CCCC1
InChIInChI=1S/C30H43N3O7/c1-38-26-10-9-22(16-27(26)39-24-7-2-3-8-24)25-17-30(40-31-25,29(37)33-13-5-4-6-23(33)20-35)28(36)18-32-14-11-21(19-34)12-15-32/h9-10,16-17,21,23-24,31,34-35H,2-8,11-15,18-20H2,1H3
InChIKeyRKQRCDGXWGALKG-UHFFFAOYSA-N
XLogP2.28
TPSA120.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.69
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91432284
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
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
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
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
CID 91434651
[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
CID 90729149
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 11304954
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 91324963) is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is COc1ccc(C2=CC(C(=O)CN3CCC(CO)CC3)(C(=O)N3CCCCC3CO)ON2)cc1OC1CCCC1.
What is the InChIKey of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is RKQRCDGXWGALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O7/c1-38-26-10-9-22(16-27(26)39-24-7-2-3-8-24)25-17-30(40-31-25,29(37)33-13-5-4-6-23(33)20-35)28(36)18-32-14-11-21(19-34)12-15-32/h9-10,16-17,21,23-24,31,34-35H,2-8,11-15,18-20H2,1H3.
What are the key properties of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 557.69 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]-2H-1,2-oxazol-5-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91324963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).