(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

C21H27N3O4 — CID 24816881

IUPAC(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)c1
InChIInChI=1S/C21H27N3O4/c1-26-17-7-4-8-18(13-17)27-15-19-14-20(22-28-19)21(25)24-11-9-23(10-12-24)16-5-2-3-6-16/h4,7-8,13-14,16H,2-3,5-6,9-12,15H2,1H3
InChIKeyBPLDZHXMCSKWKM-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.96
Rot. Bonds6

About (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24816881) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID24816881
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)c1
InChIInChI=1S/C21H27N3O4/c1-26-17-7-4-8-18(13-17)27-15-19-14-20(22-28-19)21(25)24-11-9-23(10-12-24)16-5-2-3-6-16/h4,7-8,13-14,16H,2-3,5-6,9-12,15H2,1H3
InChIKeyBPLDZHXMCSKWKM-UHFFFAOYSA-N
XLogP2.96
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 56852001
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 26392318
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 28957767
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 24816881) is (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is COc1cccc(OCc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)c1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is BPLDZHXMCSKWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-17-7-4-8-18(13-17)27-15-19-14-20(22-28-19)21(25)24-11-9-23(10-12-24)16-5-2-3-6-16/h4,7-8,13-14,16H,2-3,5-6,9-12,15H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 385.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24816881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).