1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea

C17H24N4O3 — CID 136537539

IUPAC1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCc1occc1-c1cc(NC(=O)NC(C)CN2CCCCC2)no1
InChIInChI=1S/C17H24N4O3/c1-12(11-21-7-4-3-5-8-21)18-17(22)19-16-10-15(24-20-16)14-6-9-23-13(14)2/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H2,18,19,20,22)
InChIKeyKPADPHXPUUQLOC-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.24
Rot. Bonds5

About 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea

1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 136537539) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea
PubChem CID136537539
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCc1occc1-c1cc(NC(=O)NC(C)CN2CCCCC2)no1
InChIInChI=1S/C17H24N4O3/c1-12(11-21-7-4-3-5-8-21)18-17(22)19-16-10-15(24-20-16)14-6-9-23-13(14)2/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H2,18,19,20,22)
InChIKeyKPADPHXPUUQLOC-UHFFFAOYSA-N
XLogP3.24
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea (CID 136537539) is 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea is Cc1occc1-c1cc(NC(=O)NC(C)CN2CCCCC2)no1.
What is the InChIKey of 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is KPADPHXPUUQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(11-21-7-4-3-5-8-21)18-17(22)19-16-10-15(24-20-16)14-6-9-23-13(14)2/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 332.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 136537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).