N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

C12H17N3O2 — CID 155953439

IUPACN-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CCCC1)c1nc(C2CC2)no1
InChIInChI=1S/C12H17N3O2/c16-11(13-7-8-3-1-2-4-8)12-14-10(15-17-12)9-5-6-9/h8-9H,1-7H2,(H,13,16)
InChIKeyHDYJANCWOBOHSK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.87
Rot. Bonds4

About N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 155953439) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID155953439
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CCCC1)c1nc(C2CC2)no1
InChIInChI=1S/C12H17N3O2/c16-11(13-7-8-3-1-2-4-8)12-14-10(15-17-12)9-5-6-9/h8-9H,1-7H2,(H,13,16)
InChIKeyHDYJANCWOBOHSK-UHFFFAOYSA-N
XLogP1.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide (CID 155953439) is N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide is O=C(NCC1CCCC1)c1nc(C2CC2)no1.
What is the InChIKey of N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HDYJANCWOBOHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(13-7-8-3-1-2-4-8)12-14-10(15-17-12)9-5-6-9/h8-9H,1-7H2,(H,13,16).
What are the key properties of N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 155953439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).