N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

C12H17F2N3O — CID 114215246

IUPACN-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFC1(F)CCC(c2noc(CCNC3CC3)n2)C1
InChIInChI=1S/C12H17F2N3O/c13-12(14)5-3-8(7-12)11-16-10(18-17-11)4-6-15-9-1-2-9/h8-9,15H,1-7H2
InChIKeyCAEAYAWBPGDVBZ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.27
Rot. Bonds5

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

N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 114215246) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID114215246
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC NameN-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFC1(F)CCC(c2noc(CCNC3CC3)n2)C1
InChIInChI=1S/C12H17F2N3O/c13-12(14)5-3-8(7-12)11-16-10(18-17-11)4-6-15-9-1-2-9/h8-9,15H,1-7H2
InChIKeyCAEAYAWBPGDVBZ-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114216662
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
3-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 114215288
N-[2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65409383
1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114216646
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole
CID 128848142
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114215243
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844783
N-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 79078144
(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 114215275

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 114215246) is N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is FC1(F)CCC(c2noc(CCNC3CC3)n2)C1.
What is the InChIKey of N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is CAEAYAWBPGDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c13-12(14)5-3-8(7-12)11-16-10(18-17-11)4-6-15-9-1-2-9/h8-9,15H,1-7H2.
What are the key properties of N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 257.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 114215246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).