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

C21H27ClN6O3 — CID 24819474

IUPAC1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1
InChIInChI=1S/C21H27ClN6O3/c22-17-4-1-2-5-18(17)24-21(30)25-19-6-10-23-28(19)16-7-12-26(13-8-16)20(29)9-14-27-11-3-15-31-27/h1-2,4-6,10,16H,3,7-9,11-15H2,(H2,24,25,30)
InChIKeyARYVJYMGFBMHIB-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.37
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 24819474) has the molecular formula C21H27ClN6O3 and a molecular weight of 446.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID24819474
Molecular FormulaC21H27ClN6O3
Molecular Weight446.94 g/mol
Exact Mass446.18
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1
InChIInChI=1S/C21H27ClN6O3/c22-17-4-1-2-5-18(17)24-21(30)25-19-6-10-23-28(19)16-7-12-26(13-8-16)20(29)9-14-27-11-3-15-31-27/h1-2,4-6,10,16H,3,7-9,11-15H2,(H2,24,25,30)
InChIKeyARYVJYMGFBMHIB-UHFFFAOYSA-N
XLogP3.37
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea (CID 24819474) is 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea is O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is ARYVJYMGFBMHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O3/c22-17-4-1-2-5-18(17)24-21(30)25-19-6-10-23-28(19)16-7-12-26(13-8-16)20(29)9-14-27-11-3-15-31-27/h1-2,4-6,10,16H,3,7-9,11-15H2,(H2,24,25,30).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 446.94 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 24819474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).