N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H22N4O2 — CID 106960449

IUPACN-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOC1CCCC1Nc1nnc(CNC(C)C)o1
InChIInChI=1S/C12H22N4O2/c1-8(2)13-7-11-15-16-12(18-11)14-9-5-4-6-10(9)17-3/h8-10,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyJOCJQWBMVUXZKH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.55
Rot. Bonds6

About N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960449) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960449
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOC1CCCC1Nc1nnc(CNC(C)C)o1
InChIInChI=1S/C12H22N4O2/c1-8(2)13-7-11-15-16-12(18-11)14-9-5-4-6-10(9)17-3/h8-10,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyJOCJQWBMVUXZKH-UHFFFAOYSA-N
XLogP1.55
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106960449) is N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is COC1CCCC1Nc1nnc(CNC(C)C)o1.
What is the InChIKey of N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JOCJQWBMVUXZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)13-7-11-15-16-12(18-11)14-9-5-4-6-10(9)17-3/h8-10,13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).