[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium

C12H13ClN3O+ — CID 2497584

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium
SMILESClc1ccc(-c2nnc(C[NH2+]C3CC3)o2)cc1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)12-16-15-11(17-12)7-14-10-5-6-10/h1-4,10,14H,5-7H2/p+1
InChIKeyVOLNNXCXRJEBDK-UHFFFAOYSA-O
MW250.71 g/mol
LogP1.62
Rot. Bonds4

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium (PubChem CID 2497584) has the molecular formula C12H13ClN3O+ and a molecular weight of 250.71 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium
PubChem CID2497584
Molecular FormulaC12H13ClN3O+
Molecular Weight250.71 g/mol
Exact Mass250.07
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium
SMILESClc1ccc(-c2nnc(C[NH2+]C3CC3)o2)cc1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)12-16-15-11(17-12)7-14-10-5-6-10/h1-4,10,14H,5-7H2/p+1
InChIKeyVOLNNXCXRJEBDK-UHFFFAOYSA-O
XLogP1.62
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96509436
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037
[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
CID 97307380
[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
CID 75457226
(3aR,7aR)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2540595

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium (CID 2497584) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium is Clc1ccc(-c2nnc(C[NH2+]C3CC3)o2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium?
The InChIKey is VOLNNXCXRJEBDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)12-16-15-11(17-12)7-14-10-5-6-10/h1-4,10,14H,5-7H2/p+1.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium has a molecular weight of 250.71 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium is sourced from PubChem (CID 2497584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).