1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

C14H26N4O3 — CID 111566590

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(O)C(CC)CC)c1noc(C)n1
InChIInChI=1S/C14H26N4O3/c1-5-10(6-2)12(19)8-15-14(20)17-11(7-3)13-16-9(4)21-18-13/h10-12,19H,5-8H2,1-4H3,(H2,15,17,20)
InChIKeyNZUASOQWKIOXHT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.93
Rot. Bonds8

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

1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 111566590) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID111566590
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(O)C(CC)CC)c1noc(C)n1
InChIInChI=1S/C14H26N4O3/c1-5-10(6-2)12(19)8-15-14(20)17-11(7-3)13-16-9(4)21-18-13/h10-12,19H,5-8H2,1-4H3,(H2,15,17,20)
InChIKeyNZUASOQWKIOXHT-UHFFFAOYSA-N
XLogP1.93
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea with MolForge

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Related Compounds

2-[4-[[(5-Ethyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 53586300
2-[4-[[(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 53593802
(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 75501747
4-Methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pentan-1-ol
CID 86792090
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 86794927
4-Methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 86797542
N~1~-{2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-L-isoleucinamide
CID 91828892
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 125170064
1-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2R)-3-ethyl-2-hydroxypentyl]urea
CID 164640081
1-Methyl-3-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 75477654
1-[[3-(Difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 132389420
1-[1-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-3-(3-fluoro-2-hydroxypropyl)urea
CID 166372224

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 111566590) is 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)NCC(O)C(CC)CC)c1noc(C)n1.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is NZUASOQWKIOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-10(6-2)12(19)8-15-14(20)17-11(7-3)13-16-9(4)21-18-13/h10-12,19H,5-8H2,1-4H3,(H2,15,17,20).
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 298.39 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 111566590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).