furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone

C20H19N3O5 — CID 6624211

IUPACfuran-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)on2)c1
InChIInChI=1S/C20H19N3O5/c1-26-15-5-2-4-14(12-15)16-13-18(28-21-16)20(25)23-9-7-22(8-10-23)19(24)17-6-3-11-27-17/h2-6,11-13H,7-10H2,1H3
InChIKeyDKBAPWYZIWZJNE-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.54
Rot. Bonds4

About furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone (PubChem CID 6624211) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone
PubChem CID6624211
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namefuran-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)on2)c1
InChIInChI=1S/C20H19N3O5/c1-26-15-5-2-4-14(12-15)16-13-18(28-21-16)20(25)23-9-7-22(8-10-23)19(24)17-6-3-11-27-17/h2-6,11-13H,7-10H2,1H3
InChIKeyDKBAPWYZIWZJNE-UHFFFAOYSA-N
XLogP2.54
TPSA89.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone (CID 6624211) is furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)on2)c1.
What is the InChIKey of furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone?
The InChIKey is DKBAPWYZIWZJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-15-5-2-4-14(12-15)16-13-18(28-21-16)20(25)23-9-7-22(8-10-23)19(24)17-6-3-11-27-17/h2-6,11-13H,7-10H2,1H3.
What are the key properties of furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone has a molecular weight of 381.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 6624211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).