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

C18H24N4O4 — CID 121497075

IUPAC1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCOCCN(CC1CCCO1)C(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O4/c1-24-11-9-22(13-15-8-5-10-25-15)18(23)19-12-16-20-17(26-21-16)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,19,23)
InChIKeySAJBYIQIPQCZBO-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.07
Rot. Bonds8

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

1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 121497075) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID121497075
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCOCCN(CC1CCCO1)C(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O4/c1-24-11-9-22(13-15-8-5-10-25-15)18(23)19-12-16-20-17(26-21-16)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,19,23)
InChIKeySAJBYIQIPQCZBO-UHFFFAOYSA-N
XLogP2.07
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 95094168
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
N-(2-methoxyethyl)-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 46141205
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 95761789
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51098221
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 121497075) is 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea is COCCN(CC1CCCO1)C(=O)NCc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is SAJBYIQIPQCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-24-11-9-22(13-15-8-5-10-25-15)18(23)19-12-16-20-17(26-21-16)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,19,23).
What are the key properties of 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 360.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 121497075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).