3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea

C16H21ClN4O3 — CID 122174322

IUPAC3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(OCc2nc(C(C)(C)C)no2)c(Cl)c1
InChIInChI=1S/C16H21ClN4O3/c1-16(2,3)14-19-13(24-20-14)9-23-12-7-6-10(8-11(12)17)18-15(22)21(4)5/h6-8H,9H2,1-5H3,(H,18,22)
InChIKeyGEHKCSSQYMOZAD-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.69
Rot. Bonds4

About 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea

3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea (PubChem CID 122174322) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea
PubChem CID122174322
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(OCc2nc(C(C)(C)C)no2)c(Cl)c1
InChIInChI=1S/C16H21ClN4O3/c1-16(2,3)14-19-13(24-20-14)9-23-12-7-6-10(8-11(12)17)18-15(22)21(4)5/h6-8H,9H2,1-5H3,(H,18,22)
InChIKeyGEHKCSSQYMOZAD-UHFFFAOYSA-N
XLogP3.69
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea 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

3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
3-[3-chloro-4-(7-phenylheptoxy)phenyl]-1,1-dimethylurea
CID 20566600
3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea
CID 12760590
3-[4-(3-bromo-3-phenylpropoxy)-3-chlorophenyl]-1,1-dimethylurea
CID 54097189
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide
CID 118786248
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 60614683
3-[3-chloro-4-(2-methylbut-3-yn-2-yloxymethoxy)phenyl]-1-methoxy-1-methylurea
CID 88820793
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 60540970

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea (CID 122174322) is 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(OCc2nc(C(C)(C)C)no2)c(Cl)c1.
What is the InChIKey of 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea?
The InChIKey is GEHKCSSQYMOZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-16(2,3)14-19-13(24-20-14)9-23-12-7-6-10(8-11(12)17)18-15(22)21(4)5/h6-8H,9H2,1-5H3,(H,18,22).
What are the key properties of 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea?
3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea has a molecular weight of 352.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea is sourced from PubChem (CID 122174322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).