3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea

C12H20N4O2 — CID 122571786

IUPAC3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCCC1(CNC(=O)N(C)Cc2nnc(C)o2)CC1
InChIInChI=1S/C12H20N4O2/c1-4-12(5-6-12)8-13-11(17)16(3)7-10-15-14-9(2)18-10/h4-8H2,1-3H3,(H,13,17)
InChIKeyDRKRQMXKVUZNSL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.71
Rot. Bonds5

About 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea

3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 122571786) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID122571786
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCCC1(CNC(=O)N(C)Cc2nnc(C)o2)CC1
InChIInChI=1S/C12H20N4O2/c1-4-12(5-6-12)8-13-11(17)16(3)7-10-15-14-9(2)18-10/h4-8H2,1-3H3,(H,13,17)
InChIKeyDRKRQMXKVUZNSL-UHFFFAOYSA-N
XLogP1.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 122571786) is 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is CCC1(CNC(=O)N(C)Cc2nnc(C)o2)CC1.
What is the InChIKey of 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is DRKRQMXKVUZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-12(5-6-12)8-13-11(17)16(3)7-10-15-14-9(2)18-10/h4-8H2,1-3H3,(H,13,17).
What are the key properties of 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 252.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 122571786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).