N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C15H18ClN3O — CID 106863632

IUPACN-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCc1ccc(-c2nnc(CCCNC3CC3)o2)c(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-10-4-7-12(13(16)9-10)15-19-18-14(20-15)3-2-8-17-11-5-6-11/h4,7,9,11,17H,2-3,5-6,8H2,1H3
InChIKeyRRVKIVKJHBDZBH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.38
Rot. Bonds6

About N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 106863632) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID106863632
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCc1ccc(-c2nnc(CCCNC3CC3)o2)c(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-10-4-7-12(13(16)9-10)15-19-18-14(20-15)3-2-8-17-11-5-6-11/h4,7,9,11,17H,2-3,5-6,8H2,1H3
InChIKeyRRVKIVKJHBDZBH-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine 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-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139131
N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62137997
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
N-[[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 82890496
N-[2-[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62163638
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 106863632) is N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is Cc1ccc(-c2nnc(CCCNC3CC3)o2)c(Cl)c1.
What is the InChIKey of N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is RRVKIVKJHBDZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-4-7-12(13(16)9-10)15-19-18-14(20-15)3-2-8-17-11-5-6-11/h4,7,9,11,17H,2-3,5-6,8H2,1H3.
What are the key properties of N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 291.78 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 106863632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).