1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea

C11H20N4O2 — CID 99855173

IUPAC1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea
SMILESCCN(C(=O)N[C@@H](C)c1noc(C)n1)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6-15(7(2)3)11(16)12-8(4)10-13-9(5)17-14-10/h7-8H,6H2,1-5H3,(H,12,16)/t8-/m0/s1
InChIKeyQNHHQYBOZLEZSJ-QMMMGPOBSA-N
MW240.31 g/mol
LogP1.88
Rot. Bonds4

About 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea

1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea (PubChem CID 99855173) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea
PubChem CID99855173
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea
SMILESCCN(C(=O)N[C@@H](C)c1noc(C)n1)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6-15(7(2)3)11(16)12-8(4)10-13-9(5)17-14-10/h7-8H,6H2,1-5H3,(H,12,16)/t8-/m0/s1
InChIKeyQNHHQYBOZLEZSJ-QMMMGPOBSA-N
XLogP1.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea?
The IUPAC name of 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea (CID 99855173) is 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea is CCN(C(=O)N[C@@H](C)c1noc(C)n1)C(C)C.
What is the InChIKey of 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea?
The InChIKey is QNHHQYBOZLEZSJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6-15(7(2)3)11(16)12-8(4)10-13-9(5)17-14-10/h7-8H,6H2,1-5H3,(H,12,16)/t8-/m0/s1.
What are the key properties of 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea?
1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea has a molecular weight of 240.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 99855173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).