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

C17H22N4O3 — CID 131901257

IUPAC1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCN(CC1CCOC1)C(=O)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O3/c1-21(11-13-8-10-23-12-13)17(22)18-9-7-15-19-16(24-20-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,22)
InChIKeyGGYUJQHEKINOTC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.96
Rot. Bonds6

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

1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 131901257) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID131901257
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCN(CC1CCOC1)C(=O)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O3/c1-21(11-13-8-10-23-12-13)17(22)18-9-7-15-19-16(24-20-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,22)
InChIKeyGGYUJQHEKINOTC-UHFFFAOYSA-N
XLogP1.96
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 109384667
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 75468358
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754
2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77082164
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 95284187
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86284965
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 131901257) is 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea is CN(CC1CCOC1)C(=O)NCCc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is GGYUJQHEKINOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-21(11-13-8-10-23-12-13)17(22)18-9-7-15-19-16(24-20-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,22).
What are the key properties of 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 330.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 131901257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).