1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

C24H30N4O4 — CID 56519182

IUPAC1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCOc1ccc(COCc2cccc(NC(=O)NCCCc3nc(C(C)C)no3)c2)cc1
InChIInChI=1S/C24H30N4O4/c1-17(2)23-27-22(32-28-23)8-5-13-25-24(29)26-20-7-4-6-19(14-20)16-31-15-18-9-11-21(30-3)12-10-18/h4,6-7,9-12,14,17H,5,8,13,15-16H2,1-3H3,(H2,25,26,29)
InChIKeyXXPPUGSAOSMIMN-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.67
Rot. Bonds11

About 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 56519182) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID56519182
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCOc1ccc(COCc2cccc(NC(=O)NCCCc3nc(C(C)C)no3)c2)cc1
InChIInChI=1S/C24H30N4O4/c1-17(2)23-27-22(32-28-23)8-5-13-25-24(29)26-20-7-4-6-19(14-20)16-31-15-18-9-11-21(30-3)12-10-18/h4,6-7,9-12,14,17H,5,8,13,15-16H2,1-3H3,(H2,25,26,29)
InChIKeyXXPPUGSAOSMIMN-UHFFFAOYSA-N
XLogP4.67
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 47090500
1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614436
1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468
3-[(4-methoxyphenyl)methoxymethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 51094811
1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea
CID 56820488
1-(2,5-dimethoxyphenyl)-5-oxo-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 49032240
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111213067
2-methyl-1-(3-phenylpropyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111198454
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106422671

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 56519182) is 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is COc1ccc(COCc2cccc(NC(=O)NCCCc3nc(C(C)C)no3)c2)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is XXPPUGSAOSMIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17(2)23-27-22(32-28-23)8-5-13-25-24(29)26-20-7-4-6-19(14-20)16-31-15-18-9-11-21(30-3)12-10-18/h4,6-7,9-12,14,17H,5,8,13,15-16H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 438.53 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 56519182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).