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

C27H24FN3O2 — CID 126495031

IUPAC[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H24FN3O2/c28-23-13-7-12-22(18-23)27(32)31-16-14-30(15-17-31)19-24-29-25(20-8-3-1-4-9-20)26(33-24)21-10-5-2-6-11-21/h1-13,18H,14-17,19H2
InChIKeyHHZIILDNYSSTDI-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.11
Rot. Bonds5

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

[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 126495031) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID126495031
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H24FN3O2/c28-23-13-7-12-22(18-23)27(32)31-16-14-30(15-17-31)19-24-29-25(20-8-3-1-4-9-20)26(33-24)21-10-5-2-6-11-21/h1-13,18H,14-17,19H2
InChIKeyHHZIILDNYSSTDI-UHFFFAOYSA-N
XLogP5.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126495134
2-[(4-benzylpiperazin-1-yl)methyl]-4,5-diphenyl-1,3-oxazole
CID 126495275
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3-fluorophenyl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 34823029
(3-fluorophenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879634
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
(3-fluorophenyl)-[4-[[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83279212
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone;oxalic acid
CID 17366433
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone (CID 126495031) is [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)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]-(3-fluorophenyl)methanone?
The InChIKey is HHZIILDNYSSTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2/c28-23-13-7-12-22(18-23)27(32)31-16-14-30(15-17-31)19-24-29-25(20-8-3-1-4-9-20)26(33-24)21-10-5-2-6-11-21/h1-13,18H,14-17,19H2.
What are the key properties of [4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 441.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(3-fluorophenyl)methanone is sourced from PubChem (CID 126495031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).