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

C16H22N4O3 — CID 111103701

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCC(O)(CC)CNC(=O)Nc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C16H22N4O3/c1-4-16(22,5-2)10-17-15(21)19-13-8-6-7-12(9-13)14-18-11(3)23-20-14/h6-9,22H,4-5,10H2,1-3H3,(H2,17,19,21)
InChIKeyUSQNCUIPYAJJSI-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.72
Rot. Bonds6

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

1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 111103701) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID111103701
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCC(O)(CC)CNC(=O)Nc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C16H22N4O3/c1-4-16(22,5-2)10-17-15(21)19-13-8-6-7-12(9-13)14-18-11(3)23-20-14/h6-9,22H,4-5,10H2,1-3H3,(H2,17,19,21)
InChIKeyUSQNCUIPYAJJSI-UHFFFAOYSA-N
XLogP2.72
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99705670
1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005886
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 97008880
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 111103701) is 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is CCC(O)(CC)CNC(=O)Nc1cccc(-c2noc(C)n2)c1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is USQNCUIPYAJJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-16(22,5-2)10-17-15(21)19-13-8-6-7-12(9-13)14-18-11(3)23-20-14/h6-9,22H,4-5,10H2,1-3H3,(H2,17,19,21).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 318.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 111103701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).