5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C13H13ClN2O3 — CID 97443640

IUPAC5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1ccccc1OCc1nc([C@H]2CCOC2)no1
InChIInChI=1S/C13H13ClN2O3/c14-10-3-1-2-4-11(10)18-8-12-15-13(16-19-12)9-5-6-17-7-9/h1-4,9H,5-8H2/t9-/m0/s1
InChIKeyMKNIEZAKWCONLT-VIFPVBQESA-N
MW280.71 g/mol
LogP2.81
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97443640) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97443640
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1ccccc1OCc1nc([C@H]2CCOC2)no1
InChIInChI=1S/C13H13ClN2O3/c14-10-3-1-2-4-11(10)18-8-12-15-13(16-19-12)9-5-6-17-7-9/h1-4,9H,5-8H2/t9-/m0/s1
InChIKeyMKNIEZAKWCONLT-VIFPVBQESA-N
XLogP2.81
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
CID 97443860
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 97455544
2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318867
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72933681
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97443640) is 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Clc1ccccc1OCc1nc([C@H]2CCOC2)no1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is MKNIEZAKWCONLT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-10-3-1-2-4-11(10)18-8-12-15-13(16-19-12)9-5-6-17-7-9/h1-4,9H,5-8H2/t9-/m0/s1.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 280.71 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97443640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).