1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

C16H22N4O3 — CID 110933059

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCCN(CCO)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N4O3/c1-4-20(9-10-21)16(22)17-13-7-5-12(6-8-13)15-18-14(11(2)3)19-23-15/h5-8,11,21H,4,9-10H2,1-3H3,(H,17,22)
InChIKeyAPGLLZHUAOPHJF-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.71
Rot. Bonds6

About 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea (PubChem CID 110933059) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
PubChem CID110933059
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCCN(CCO)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N4O3/c1-4-20(9-10-21)16(22)17-13-7-5-12(6-8-13)15-18-14(11(2)3)19-23-15/h5-8,11,21H,4,9-10H2,1-3H3,(H,17,22)
InChIKeyAPGLLZHUAOPHJF-UHFFFAOYSA-N
XLogP2.71
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea (CID 110933059) is 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea is CCN(CCO)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The InChIKey is APGLLZHUAOPHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-20(9-10-21)16(22)17-13-7-5-12(6-8-13)15-18-14(11(2)3)19-23-15/h5-8,11,21H,4,9-10H2,1-3H3,(H,17,22).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea has a molecular weight of 318.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea is sourced from PubChem (CID 110933059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).