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

C14H26N4O3 — CID 111566439

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CC(C)O)c1noc(C)n1
InChIInChI=1S/C14H26N4O3/c1-6-11(12-16-10(3)21-18-12)17-13(20)15-8-14(4,5)7-9(2)19/h9,11,19H,6-8H2,1-5H3,(H2,15,17,20)
InChIKeyCVHVHFCHNQRDEW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.93
Rot. Bonds7

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

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 111566439) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID111566439
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CC(C)O)c1noc(C)n1
InChIInChI=1S/C14H26N4O3/c1-6-11(12-16-10(3)21-18-12)17-13(20)15-8-14(4,5)7-9(2)19/h9,11,19H,6-8H2,1-5H3,(H2,15,17,20)
InChIKeyCVHVHFCHNQRDEW-UHFFFAOYSA-N
XLogP1.93
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566574
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97096543
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea
CID 111504028
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 97330137
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97242045

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 111566439) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)NCC(C)(C)CC(C)O)c1noc(C)n1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is CVHVHFCHNQRDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-6-11(12-16-10(3)21-18-12)17-13(20)15-8-14(4,5)7-9(2)19/h9,11,19H,6-8H2,1-5H3,(H2,15,17,20).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-(4-hydroxy-2,2-dimethylpentyl)-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, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 111566439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).