1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea

C17H24ClN5O2 — CID 120868342

IUPAC1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
SMILESCNC(C)Cc1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1
InChIInChI=1S/C17H24ClN5O2/c1-10(19-5)8-14-21-15(25-23-14)12-9-11(6-7-13(12)18)20-16(24)22-17(2,3)4/h6-7,9-10,19H,8H2,1-5H3,(H2,20,22,24)
InChIKeyBGJJOGCNJJBDHI-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.46
Rot. Bonds5

About 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea

1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea (PubChem CID 120868342) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
PubChem CID120868342
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
SMILESCNC(C)Cc1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1
InChIInChI=1S/C17H24ClN5O2/c1-10(19-5)8-14-21-15(25-23-14)12-9-11(6-7-13(12)18)20-16(24)22-17(2,3)4/h6-7,9-10,19H,8H2,1-5H3,(H2,20,22,24)
InChIKeyBGJJOGCNJJBDHI-UHFFFAOYSA-N
XLogP3.46
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]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

N-tert-butyl-4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867178
1-tert-butyl-3-[4-chloro-3-[3-(4-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 166181361
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
1-[5-(2-chloro-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868448
2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride
CID 120865009
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 120505174
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866559
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866776
2-methyl-N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]cyclopropane-1-carboxamide
CID 120865611
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
CID 120869013

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
The IUPAC name of 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea (CID 120868342) is 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
The canonical SMILES for 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea is CNC(C)Cc1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1.
What is the InChIKey of 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
The InChIKey is BGJJOGCNJJBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2/c1-10(19-5)8-14-21-15(25-23-14)12-9-11(6-7-13(12)18)20-16(24)22-17(2,3)4/h6-7,9-10,19H,8H2,1-5H3,(H2,20,22,24).
What are the key properties of 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea?
1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea has a molecular weight of 365.87 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea is sourced from PubChem (CID 120868342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).