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

C17H20ClN3O2 — CID 94828168

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
SMILESClc1ccccc1-c1nnc(CN(C[C@H]2CCOC2)C2CC2)o1
InChIInChI=1S/C17H20ClN3O2/c18-15-4-2-1-3-14(15)17-20-19-16(23-17)10-21(13-5-6-13)9-12-7-8-22-11-12/h1-4,12-13H,5-11H2/t12-/m1/s1
InChIKeyYOUSKZMOLJMNCW-GFCCVEGCSA-N
MW333.82 g/mol
LogP3.39
Rot. Bonds6

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 94828168) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
PubChem CID94828168
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
SMILESClc1ccccc1-c1nnc(CN(C[C@H]2CCOC2)C2CC2)o1
InChIInChI=1S/C17H20ClN3O2/c18-15-4-2-1-3-14(15)17-20-19-16(23-17)10-21(13-5-6-13)9-12-7-8-22-11-12/h1-4,12-13H,5-11H2/t12-/m1/s1
InChIKeyYOUSKZMOLJMNCW-GFCCVEGCSA-N
XLogP3.39
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 34553052
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-ethylpyrrolidin-3-amine
CID 63300120
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 63643027
3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
CID 16557654
2-[4-[[cyclopropyl(oxolan-3-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 87017036
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 24556156
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 8011669
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol
CID 61068997
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
CID 111858727
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-methylmorpholin-4-yl)acetamide
CID 42929033
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine (CID 94828168) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine is Clc1ccccc1-c1nnc(CN(C[C@H]2CCOC2)C2CC2)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is YOUSKZMOLJMNCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-15-4-2-1-3-14(15)17-20-19-16(23-17)10-21(13-5-6-13)9-12-7-8-22-11-12/h1-4,12-13H,5-11H2/t12-/m1/s1.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 333.82 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 94828168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).