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

C25H23N3O3 — CID 126495134

IUPAC[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H23N3O3/c29-25(21-12-7-17-30-21)28-15-13-27(14-16-28)18-22-26-23(19-8-3-1-4-9-19)24(31-22)20-10-5-2-6-11-20/h1-12,17H,13-16,18H2
InChIKeyDSAAAQSNRARXIB-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.56
Rot. Bonds5

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

[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 126495134) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID126495134
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H23N3O3/c29-25(21-12-7-17-30-21)28-15-13-27(14-16-28)18-22-26-23(19-8-3-1-4-9-19)24(31-22)20-10-5-2-6-11-20/h1-12,17H,13-16,18H2
InChIKeyDSAAAQSNRARXIB-UHFFFAOYSA-N
XLogP4.56
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-4,5-diphenyl-1,3-oxazole
CID 126495275
[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 126495031
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37377664
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 126495134) is [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DSAAAQSNRARXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-25(21-12-7-17-30-21)28-15-13-27(14-16-28)18-22-26-23(19-8-3-1-4-9-19)24(31-22)20-10-5-2-6-11-20/h1-12,17H,13-16,18H2.
What are the key properties of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 413.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 126495134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).