1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea

C21H27FN6O3 — CID 24791716

IUPAC1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1
InChIInChI=1S/C21H27FN6O3/c22-16-3-1-4-17(15-16)24-21(30)25-19-5-9-23-28(19)18-6-11-26(12-7-18)20(29)8-13-27-10-2-14-31-27/h1,3-5,9,15,18H,2,6-8,10-14H2,(H2,24,25,30)
InChIKeyDVMVZCIMSYZJGT-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea

1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 24791716) has the molecular formula C21H27FN6O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID24791716
Molecular FormulaC21H27FN6O3
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC Name1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1
InChIInChI=1S/C21H27FN6O3/c22-16-3-1-4-17(15-16)24-21(30)25-19-5-9-23-28(19)18-6-11-26(12-7-18)20(29)8-13-27-10-2-14-31-27/h1,3-5,9,15,18H,2,6-8,10-14H2,(H2,24,25,30)
InChIKeyDVMVZCIMSYZJGT-UHFFFAOYSA-N
XLogP2.86
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea (CID 24791716) is 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea is O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is DVMVZCIMSYZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O3/c22-16-3-1-4-17(15-16)24-21(30)25-19-5-9-23-28(19)18-6-11-26(12-7-18)20(29)8-13-27-10-2-14-31-27/h1,3-5,9,15,18H,2,6-8,10-14H2,(H2,24,25,30).
What are the key properties of 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 430.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 24791716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).