3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole

C13H17N3O3 — CID 167809736

IUPAC3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1cc(Cc2nc(C3CCCC3)no2)no1
InChIInChI=1S/C13H17N3O3/c1-17-8-11-6-10(15-18-11)7-12-14-13(16-19-12)9-4-2-3-5-9/h6,9H,2-5,7-8H2,1H3
InChIKeyCKKLUPBDEASGBD-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.45
Rot. Bonds5

About 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole

3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 167809736) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID167809736
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1cc(Cc2nc(C3CCCC3)no2)no1
InChIInChI=1S/C13H17N3O3/c1-17-8-11-6-10(15-18-11)7-12-14-13(16-19-12)9-4-2-3-5-9/h6,9H,2-5,7-8H2,1H3
InChIKeyCKKLUPBDEASGBD-UHFFFAOYSA-N
XLogP2.45
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one
CID 63346911
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
3-cyclopentyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
CID 167939537
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
CID 167808538
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346866
[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
CID 66188763
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole (CID 167809736) is 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole is COCc1cc(Cc2nc(C3CCCC3)no2)no1.
What is the InChIKey of 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is CKKLUPBDEASGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-8-11-6-10(15-18-11)7-12-14-13(16-19-12)9-4-2-3-5-9/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167809736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).