2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole

C24H30FN5O2 — CID 46232072

IUPAC2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole
SMILESCCCc1nc(-c2ccc(F)cc2)oc1COC(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H30FN5O2/c1-3-5-21-22(32-23(28-21)19-6-8-20(25)9-7-19)17-31-18(2)16-29-12-14-30(15-13-29)24-26-10-4-11-27-24/h4,6-11,18H,3,5,12-17H2,1-2H3
InChIKeyKTDHDMSKQGZSFD-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.95
Rot. Bonds9

About 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole

2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole (PubChem CID 46232072) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole
PubChem CID46232072
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole
SMILESCCCc1nc(-c2ccc(F)cc2)oc1COC(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H30FN5O2/c1-3-5-21-22(32-23(28-21)19-6-8-20(25)9-7-19)17-31-18(2)16-29-12-14-30(15-13-29)24-26-10-4-11-27-24/h4,6-11,18H,3,5,12-17H2,1-2H3
InChIKeyKTDHDMSKQGZSFD-UHFFFAOYSA-N
XLogP3.95
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole (CID 46232072) is 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole is CCCc1nc(-c2ccc(F)cc2)oc1COC(C)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole?
The InChIKey is KTDHDMSKQGZSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-3-5-21-22(32-23(28-21)19-6-8-20(25)9-7-19)17-31-18(2)16-29-12-14-30(15-13-29)24-26-10-4-11-27-24/h4,6-11,18H,3,5,12-17H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole has a molecular weight of 439.54 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole is sourced from PubChem (CID 46232072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).