furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

C18H18N4O3 — CID 2980995

IUPACfuran-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C18H18N4O3/c23-18(15-7-4-12-24-15)22-10-8-21(9-11-22)13-16-19-20-17(25-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyDOCNYQVSXWEPRO-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.29
Rot. Bonds4

About furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 2980995) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID2980995
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Namefuran-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C18H18N4O3/c23-18(15-7-4-12-24-15)22-10-8-21(9-11-22)13-16-19-20-17(25-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyDOCNYQVSXWEPRO-UHFFFAOYSA-N
XLogP2.29
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 652840
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl][4-(furan-2-ylcarbonyl)piperazin-1-yl]methanone
CID 5309098
(3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 49801837
[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone
CID 56597407
N,N-dimethyl-1-[3-methyl-4-({1-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbonyl]azetidin-3-yl}oxy)phenyl]methanamine
CID 56597689
1-[2-Fluoro-4-({1-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbonyl]azetidin-3-yl}oxy)benzyl]-4-methylpiperazine
CID 56597990
[3-[3-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56597991
[3-[4-[(Dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56598130
(3-(4-(6-Oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 71226400
(3-(4-(5-Oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone
CID 71226964
(3-(4-(5-Oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 71227163

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 2980995) is furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is DOCNYQVSXWEPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-18(15-7-4-12-24-15)22-10-8-21(9-11-22)13-16-19-20-17(25-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 338.37 g/mol, XLogP of 2.29, 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-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2980995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).