1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol

C18H24FN3O2 — CID 56778692

IUPAC1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1C
InChIInChI=1S/C18H24FN3O2/c1-13-10-21(7-8-22(13)11-14(2)23)12-18-20-9-17(24-18)15-3-5-16(19)6-4-15/h3-6,9,13-14,23H,7-8,10-12H2,1-2H3
InChIKeyCJFHPONEPGYUME-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol

1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 56778692) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID56778692
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1C
InChIInChI=1S/C18H24FN3O2/c1-13-10-21(7-8-22(13)11-14(2)23)12-18-20-9-17(24-18)15-3-5-16(19)6-4-15/h3-6,9,13-14,23H,7-8,10-12H2,1-2H3
InChIKeyCJFHPONEPGYUME-UHFFFAOYSA-N
XLogP2.37
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 56778692) is 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1C.
What is the InChIKey of 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is CJFHPONEPGYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-10-21(7-8-22(13)11-14(2)23)12-18-20-9-17(24-18)15-3-5-16(19)6-4-15/h3-6,9,13-14,23H,7-8,10-12H2,1-2H3.
What are the key properties of 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 333.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).