4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one

C22H24FN3O2 — CID 3078390

IUPAC4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(CCCN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C22H24FN3O2/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27)
InChIKeyRUDVNLIUODSIIS-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.53
Rot. Bonds6

About 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one

4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one (PubChem CID 3078390) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one
PubChem CID3078390
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(CCCN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C22H24FN3O2/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27)
InChIKeyRUDVNLIUODSIIS-UHFFFAOYSA-N
XLogP3.53
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one (CID 3078390) is 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one is O=c1[nH]c(-c2ccc(F)cc2)c(CCCN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one?
The InChIKey is RUDVNLIUODSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one?
4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one has a molecular weight of 381.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 3078390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).