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

C12H22N4O3 — CID 111111799

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCN(CCO)C(=O)NCCc1nc(C(C)C)no1
InChIInChI=1S/C12H22N4O3/c1-4-16(7-8-17)12(18)13-6-5-10-14-11(9(2)3)15-19-10/h9,17H,4-8H2,1-3H3,(H,13,18)
InChIKeyCILWERMPFBEBKY-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.76
Rot. Bonds7

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

1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 111111799) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID111111799
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCN(CCO)C(=O)NCCc1nc(C(C)C)no1
InChIInChI=1S/C12H22N4O3/c1-4-16(7-8-17)12(18)13-6-5-10-14-11(9(2)3)15-19-10/h9,17H,4-8H2,1-3H3,(H,13,18)
InChIKeyCILWERMPFBEBKY-UHFFFAOYSA-N
XLogP0.76
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933059
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335796
2-hydroxy-2-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 111538352
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95934487
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 71868282
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 71920782
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 109389996
1,1-diethyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809481
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
2-[3-[di(propan-2-yl)amino]propyl]-1-ethyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111981886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 111111799) is 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CCN(CCO)C(=O)NCCc1nc(C(C)C)no1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is CILWERMPFBEBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-16(7-8-17)12(18)13-6-5-10-14-11(9(2)3)15-19-10/h9,17H,4-8H2,1-3H3,(H,13,18).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 270.33 g/mol, XLogP of 0.76, 7 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-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 111111799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).