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

C12H12ClN3O — CID 65465196

IUPAC1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(Cc3ccccc3Cl)no2)CC1
InChIInChI=1S/C12H12ClN3O/c13-9-4-2-1-3-8(9)7-10-15-11(17-16-10)12(14)5-6-12/h1-4H,5-7,14H2
InChIKeySLLNMEJPYFFYAD-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.26
Rot. Bonds3

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

1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 65465196) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID65465196
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(Cc3ccccc3Cl)no2)CC1
InChIInChI=1S/C12H12ClN3O/c13-9-4-2-1-3-8(9)7-10-15-11(17-16-10)12(14)5-6-12/h1-4H,5-7,14H2
InChIKeySLLNMEJPYFFYAD-UHFFFAOYSA-N
XLogP2.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 82787634
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950155
3-[(2-chlorophenyl)methyl]-5-(1-methylsulfonylcyclobutyl)-1,2,4-oxadiazole
CID 131961736
methyl 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733484
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 66154272
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63021786
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
CID 119947992
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 96592622
1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161653
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62503204

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 65465196) is 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is NC1(c2nc(Cc3ccccc3Cl)no2)CC1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is SLLNMEJPYFFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-4-2-1-3-8(9)7-10-15-11(17-16-10)12(14)5-6-12/h1-4H,5-7,14H2.
What are the key properties of 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 249.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 65465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).