N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide

C16H26N4O2 — CID 120851636

IUPACN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
SMILESNC1(c2noc(CCNC(=O)C3CCCCC3)n2)CCCC1
InChIInChI=1S/C16H26N4O2/c17-16(9-4-5-10-16)15-19-13(22-20-15)8-11-18-14(21)12-6-2-1-3-7-12/h12H,1-11,17H2,(H,18,21)
InChIKeyXUGOXIGBPROWOV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.04
Rot. Bonds5

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

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide (PubChem CID 120851636) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
PubChem CID120851636
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
SMILESNC1(c2noc(CCNC(=O)C3CCCCC3)n2)CCCC1
InChIInChI=1S/C16H26N4O2/c17-16(9-4-5-10-16)15-19-13(22-20-15)8-11-18-14(21)12-6-2-1-3-7-12/h12H,1-11,17H2,(H,18,21)
InChIKeyXUGOXIGBPROWOV-UHFFFAOYSA-N
XLogP2.04
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide (CID 120851636) is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide is NC1(c2noc(CCNC(=O)C3CCCCC3)n2)CCCC1.
What is the InChIKey of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is XUGOXIGBPROWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c17-16(9-4-5-10-16)15-19-13(22-20-15)8-11-18-14(21)12-6-2-1-3-7-12/h12H,1-11,17H2,(H,18,21).
What are the key properties of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 120851636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).