3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea

C17H22N4O3 — CID 122561757

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
SMILESCN(CCC(O)c1ccccc1)C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C17H22N4O3/c1-21(10-9-14(22)12-5-3-2-4-6-12)17(23)18-11-15-19-16(20-24-15)13-7-8-13/h2-6,13-14,22H,7-11H2,1H3,(H,18,23)
InChIKeyODFFRQWTQGBBAV-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.21
Rot. Bonds7

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea (PubChem CID 122561757) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
PubChem CID122561757
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
SMILESCN(CCC(O)c1ccccc1)C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C17H22N4O3/c1-21(10-9-14(22)12-5-3-2-4-6-12)17(23)18-11-15-19-16(20-24-15)13-7-8-13/h2-6,13-14,22H,7-11H2,1H3,(H,18,23)
InChIKeyODFFRQWTQGBBAV-UHFFFAOYSA-N
XLogP2.21
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea with MolForge

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Related Compounds

1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methyl-3-[(5-methyl-1H-pyrazol-3-yl)methyl]urea
CID 126439318
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 122566735
2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 121021978
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 131940946
(2R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 96562539
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-(2-propylsulfanylphenyl)urea
CID 72910840
(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 51095182
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea (CID 122561757) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea is CN(CCC(O)c1ccccc1)C(=O)NCc1nc(C2CC2)no1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea?
The InChIKey is ODFFRQWTQGBBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-21(10-9-14(22)12-5-3-2-4-6-12)17(23)18-11-15-19-16(20-24-15)13-7-8-13/h2-6,13-14,22H,7-11H2,1H3,(H,18,23).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea has a molecular weight of 330.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea is sourced from PubChem (CID 122561757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).