[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C12H17N5O — CID 82895740

IUPAC[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCn1cncc1-c1noc(C2CCCC2CN)n1
InChIInChI=1S/C12H17N5O/c1-17-7-14-6-10(17)11-15-12(18-16-11)9-4-2-3-8(9)5-13/h6-9H,2-5,13H2,1H3
InChIKeyPCQTUCDIQNPSAK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds3

About [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 82895740) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID82895740
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESCn1cncc1-c1noc(C2CCCC2CN)n1
InChIInChI=1S/C12H17N5O/c1-17-7-14-6-10(17)11-15-12(18-16-11)9-4-2-3-8(9)5-13/h6-9H,2-5,13H2,1H3
InChIKeyPCQTUCDIQNPSAK-UHFFFAOYSA-N
XLogP1.31
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 82895740) is [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is Cn1cncc1-c1noc(C2CCCC2CN)n1.
What is the InChIKey of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is PCQTUCDIQNPSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-7-14-6-10(17)11-15-12(18-16-11)9-4-2-3-8(9)5-13/h6-9H,2-5,13H2,1H3.
What are the key properties of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 82895740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).