5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C20H19ClN2O3 — CID 56804159

IUPAC5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESClc1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1
InChIInChI=1S/C20H19ClN2O3/c21-16-6-4-5-15(13-16)20(9-11-24-12-10-20)19-22-18(23-26-19)14-25-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyQKJRSVJYDAVRQI-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.40
Rot. Bonds5

About 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 56804159) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID56804159
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESClc1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1
InChIInChI=1S/C20H19ClN2O3/c21-16-6-4-5-15(13-16)20(9-11-24-12-10-20)19-22-18(23-26-19)14-25-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyQKJRSVJYDAVRQI-UHFFFAOYSA-N
XLogP4.40
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
CID 56804175
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863997
5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 154748306
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
3-(2-methylpropyl)-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,2,4-oxadiazole
CID 154748305
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 56804028
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42692356
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 26323075

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 56804159) is 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is Clc1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1.
What is the InChIKey of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is QKJRSVJYDAVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-16-6-4-5-15(13-16)20(9-11-24-12-10-20)19-22-18(23-26-19)14-25-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2.
What are the key properties of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 370.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56804159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).