1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride

C15H19Cl2N5O2 — CID 120867151

IUPAC1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(Cl)c(N3CCNC3=O)c2)n1.Cl
InChIInChI=1S/C15H18ClN5O2.ClH/c1-9(17-2)7-13-19-14(23-20-13)10-3-4-11(16)12(8-10)21-6-5-18-15(21)22;/h3-4,8-9,17H,5-7H2,1-2H3,(H,18,22);1H
InChIKeyLCMFLAKNQHAYGU-UHFFFAOYSA-N
MW372.26 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride

1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride (PubChem CID 120867151) has the molecular formula C15H19Cl2N5O2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride
PubChem CID120867151
Molecular FormulaC15H19Cl2N5O2
Molecular Weight372.26 g/mol
Exact Mass371.09
IUPAC Name1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(Cl)c(N3CCNC3=O)c2)n1.Cl
InChIInChI=1S/C15H18ClN5O2.ClH/c1-9(17-2)7-13-19-14(23-20-13)10-3-4-11(16)12(8-10)21-6-5-18-15(21)22;/h3-4,8-9,17H,5-7H2,1-2H3,(H,18,22);1H
InChIKeyLCMFLAKNQHAYGU-UHFFFAOYSA-N
XLogP2.49
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chlorophenyl]imidazolidin-2-one
CID 120861574
1-[2-methyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one
CID 72900095
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-methyl-1-[5-[4-(thiomorpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867051
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 120868313
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167764183

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride (CID 120867151) is 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride is CNC(C)Cc1noc(-c2ccc(Cl)c(N3CCNC3=O)c2)n1.Cl.
What is the InChIKey of 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is LCMFLAKNQHAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2.ClH/c1-9(17-2)7-13-19-14(23-20-13)10-3-4-11(16)12(8-10)21-6-5-18-15(21)22;/h3-4,8-9,17H,5-7H2,1-2H3,(H,18,22);1H.
What are the key properties of 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride?
1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 372.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 120867151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).