3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole

C12H13ClN2O2 — CID 63861167

IUPAC3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(COc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H13ClN2O2/c1-2-3-12-14-11(15-17-12)8-16-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyIZJNDBRBWAEOBB-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.25
Rot. Bonds5

About 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole

3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 63861167) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID63861167
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(COc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H13ClN2O2/c1-2-3-12-14-11(15-17-12)8-16-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyIZJNDBRBWAEOBB-UHFFFAOYSA-N
XLogP3.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495157
3-[(5-chloro-2-nitrophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 78953146
N-tert-butyl-1-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide
CID 167953701
1-[5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799529
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 52734301
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
N-[[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl-ethoxyphosphoryl]propan-2-amine
CID 2799067
[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 51051991

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole (CID 63861167) is 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(COc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is IZJNDBRBWAEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-3-12-14-11(15-17-12)8-16-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 252.70 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 63861167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).