3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole

C20H29N3O3 — CID 91531973

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
SMILESCOc1ccc(C2=CC(C)(N3CCNCC3)ON2)cc1OC1CCCC1
InChIInChI=1S/C20H29N3O3/c1-20(23-11-9-21-10-12-23)14-17(22-26-20)15-7-8-18(24-2)19(13-15)25-16-5-3-4-6-16/h7-8,13-14,16,21-22H,3-6,9-12H2,1-2H3
InChIKeyGGTCZDDGEAESBZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.51
Rot. Bonds5

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole

3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole (PubChem CID 91531973) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
PubChem CID91531973
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
SMILESCOc1ccc(C2=CC(C)(N3CCNCC3)ON2)cc1OC1CCCC1
InChIInChI=1S/C20H29N3O3/c1-20(23-11-9-21-10-12-23)14-17(22-26-20)15-7-8-18(24-2)19(13-15)25-16-5-3-4-6-16/h7-8,13-14,16,21-22H,3-6,9-12H2,1-2H3
InChIKeyGGTCZDDGEAESBZ-UHFFFAOYSA-N
XLogP2.51
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
[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
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 90770857
1-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-diazepane
CID 143534246
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-[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
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
[2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-2-iminoethyl] acetate
CID 90729149
3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 57160895

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole (CID 91531973) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole is COc1ccc(C2=CC(C)(N3CCNCC3)ON2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole?
The InChIKey is GGTCZDDGEAESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(23-11-9-21-10-12-23)14-17(22-26-20)15-7-8-18(24-2)19(13-15)25-16-5-3-4-6-16/h7-8,13-14,16,21-22H,3-6,9-12H2,1-2H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole?
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole has a molecular weight of 359.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole is sourced from PubChem (CID 91531973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).