2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole

C17H15ClN2O2 — CID 43913123

IUPAC2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
SMILESCCC(Oc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H15ClN2O2/c1-2-15(21-14-6-4-3-5-7-14)17-20-19-16(22-17)12-8-10-13(18)11-9-12/h3-11,15H,2H2,1H3
InChIKeyMCIOJBQVLRFPPZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.92
Rot. Bonds5

About 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole (PubChem CID 43913123) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
PubChem CID43913123
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
SMILESCCC(Oc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H15ClN2O2/c1-2-15(21-14-6-4-3-5-7-14)17-20-19-16(22-17)12-8-10-13(18)11-9-12/h3-11,15H,2H2,1H3
InChIKeyMCIOJBQVLRFPPZ-UHFFFAOYSA-N
XLogP4.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
CID 20778406
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methoxybenzamide
CID 17252091
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxybenzamide
CID 28760976
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
1-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857111
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
2-(4-chlorophenyl)-5-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 42988332
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole (CID 43913123) is 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole is CCC(Oc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole?
The InChIKey is MCIOJBQVLRFPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-15(21-14-6-4-3-5-7-14)17-20-19-16(22-17)12-8-10-13(18)11-9-12/h3-11,15H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole has a molecular weight of 314.77 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43913123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).