N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C12H11Cl2N3O — CID 62341595

IUPACN-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(-c2nc(CNC3CC3)no2)c1
InChIInChI=1S/C12H11Cl2N3O/c13-7-1-4-10(14)9(5-7)12-16-11(17-18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2
InChIKeyBTDIZPLMKYYTNV-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.30
Rot. Bonds4

About N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 62341595) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID62341595
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(-c2nc(CNC3CC3)no2)c1
InChIInChI=1S/C12H11Cl2N3O/c13-7-1-4-10(14)9(5-7)12-16-11(17-18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2
InChIKeyBTDIZPLMKYYTNV-UHFFFAOYSA-N
XLogP3.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 114026356
N-[[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065577
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136966609
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341400
N-[[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 63796484
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62343764
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341594
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625
N-[[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 82890496
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 62341595) is N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is Clc1ccc(Cl)c(-c2nc(CNC3CC3)no2)c1.
What is the InChIKey of N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is BTDIZPLMKYYTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-7-1-4-10(14)9(5-7)12-16-11(17-18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2.
What are the key properties of N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 284.15 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62341595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).