1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea

C15H25N5O2 — CID 56781517

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
SMILESC=C(C)CN1CCC(NC(=O)NCCc2nc(C)no2)CC1
InChIInChI=1S/C15H25N5O2/c1-11(2)10-20-8-5-13(6-9-20)18-15(21)16-7-4-14-17-12(3)19-22-14/h13H,1,4-10H2,2-3H3,(H2,16,18,21)
InChIKeyQIMQWFNIVNWWPQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea (PubChem CID 56781517) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
PubChem CID56781517
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
SMILESC=C(C)CN1CCC(NC(=O)NCCc2nc(C)no2)CC1
InChIInChI=1S/C15H25N5O2/c1-11(2)10-20-8-5-13(6-9-20)18-15(21)16-7-4-14-17-12(3)19-22-14/h13H,1,4-10H2,2-3H3,(H2,16,18,21)
InChIKeyQIMQWFNIVNWWPQ-UHFFFAOYSA-N
XLogP1.26
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea (CID 56781517) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea is C=C(C)CN1CCC(NC(=O)NCCc2nc(C)no2)CC1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
The InChIKey is QIMQWFNIVNWWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)10-20-8-5-13(6-9-20)18-15(21)16-7-4-14-17-12(3)19-22-14/h13H,1,4-10H2,2-3H3,(H2,16,18,21).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea has a molecular weight of 307.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea is sourced from PubChem (CID 56781517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).