3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea

C17H24N4O3 — CID 111859335

IUPAC3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C
InChIInChI=1S/C17H24N4O3/c1-4-8-21(9-10-22)17(23)18-14-11-13(7-6-12(14)3)16-19-15(5-2)20-24-16/h6-7,11,22H,4-5,8-10H2,1-3H3,(H,18,23)
InChIKeySBZFDJFGADCQQH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.84
Rot. Bonds7

About 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea

3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 111859335) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID111859335
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C
InChIInChI=1S/C17H24N4O3/c1-4-8-21(9-10-22)17(23)18-14-11-13(7-6-12(14)3)16-19-15(5-2)20-24-16/h6-7,11,22H,4-5,8-10H2,1-3H3,(H,18,23)
InChIKeySBZFDJFGADCQQH-UHFFFAOYSA-N
XLogP2.84
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea (CID 111859335) is 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C.
What is the InChIKey of 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is SBZFDJFGADCQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-8-21(9-10-22)17(23)18-14-11-13(7-6-12(14)3)16-19-15(5-2)20-24-16/h6-7,11,22H,4-5,8-10H2,1-3H3,(H,18,23).
What are the key properties of 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 332.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 111859335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).