[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H20N4O3 — CID 90502995

IUPAC[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C20H20N4O3/c25-19(24-11-9-23(10-12-24)18-5-1-2-8-21-18)20(6-7-20)17-14-16(27-22-17)15-4-3-13-26-15/h1-5,8,13-14H,6-7,9-12H2
InChIKeyJPSSTLAUCHMNEA-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.71
Rot. Bonds4

About [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 90502995) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID90502995
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C20H20N4O3/c25-19(24-11-9-23(10-12-24)18-5-1-2-8-21-18)20(6-7-20)17-14-16(27-22-17)15-4-3-13-26-15/h1-5,8,13-14H,6-7,9-12H2
InChIKeyJPSSTLAUCHMNEA-UHFFFAOYSA-N
XLogP2.71
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90503589
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 113198678
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502897
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672
[4-(4-methoxyphenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 47718009
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 90503022
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502967

Frequently Asked Questions

What is the IUPAC name of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 90502995) is [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccn2)CC1)C1(c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JPSSTLAUCHMNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(24-11-9-23(10-12-24)18-5-1-2-8-21-18)20(6-7-20)17-14-16(27-22-17)15-4-3-13-26-15/h1-5,8,13-14H,6-7,9-12H2.
What are the key properties of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 364.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 90502995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).