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

C28H39N3O5 — CID 68687679

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(C2=NOC(CC(=O)N3CCCCC3)(C(=O)N3CCCCC3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H39N3O5/c1-34-24-13-12-21(18-25(24)35-22-10-4-5-11-22)23-19-28(36-29-23,27(33)31-16-8-3-9-17-31)20-26(32)30-14-6-2-7-15-30/h12-13,18,22H,2-11,14-17,19-20H2,1H3
InChIKeyVHWWDFRTGWBMNT-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.29
Rot. Bonds7

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

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone (PubChem CID 68687679) has the molecular formula C28H39N3O5 and a molecular weight of 497.64 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone
PubChem CID68687679
Molecular FormulaC28H39N3O5
Molecular Weight497.64 g/mol
Exact Mass497.29
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(C2=NOC(CC(=O)N3CCCCC3)(C(=O)N3CCCCC3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H39N3O5/c1-34-24-13-12-21(18-25(24)35-22-10-4-5-11-22)23-19-28(36-29-23,27(33)31-16-8-3-9-17-31)20-26(32)30-14-6-2-7-15-30/h12-13,18,22H,2-11,14-17,19-20H2,1H3
InChIKeyVHWWDFRTGWBMNT-UHFFFAOYSA-N
XLogP4.29
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one
CID 59550966
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 59550971
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 59550977
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765
methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
CID 57434215
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 11304954
N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
CID 11568609
3-(3-cyclopentyloxy-4-methoxyphenyl)-7-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 59550970
N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide
CID 11339313
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-N-[(1S)-1-phenylethyl]-4H-1,2-oxazole-5-carboxamide
CID 70093544
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 86616262

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone (CID 68687679) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone is COc1ccc(C2=NOC(CC(=O)N3CCCCC3)(C(=O)N3CCCCC3)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone?
The InChIKey is VHWWDFRTGWBMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O5/c1-34-24-13-12-21(18-25(24)35-22-10-4-5-11-22)23-19-28(36-29-23,27(33)31-16-8-3-9-17-31)20-26(32)30-14-6-2-7-15-30/h12-13,18,22H,2-11,14-17,19-20H2,1H3.
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone has a molecular weight of 497.64 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 68687679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).