5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C22H17N3O3 — CID 9355907

IUPAC5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2ccc3c(c2)[nH]c2ccccc23)n1
InChIInChI=1S/C22H17N3O3/c1-26-20-9-5-3-7-17(20)22-24-21(28-25-22)13-27-14-10-11-16-15-6-2-4-8-18(15)23-19(16)12-14/h2-12,23H,13H2,1H3
InChIKeyCFNGMOJPKXOZDP-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.96
Rot. Bonds5

About 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9355907) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9355907
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2ccc3c(c2)[nH]c2ccccc23)n1
InChIInChI=1S/C22H17N3O3/c1-26-20-9-5-3-7-17(20)22-24-21(28-25-22)13-27-14-10-11-16-15-6-2-4-8-18(15)23-19(16)12-14/h2-12,23H,13H2,1H3
InChIKeyCFNGMOJPKXOZDP-UHFFFAOYSA-N
XLogP4.96
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
CID 22115631
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9354144
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480
5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9354278
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 22128538
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382
5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901

Frequently Asked Questions

What is the IUPAC name of 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 9355907) is 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(COc2ccc3c(c2)[nH]c2ccccc23)n1.
What is the InChIKey of 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CFNGMOJPKXOZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-26-20-9-5-3-7-17(20)22-24-21(28-25-22)13-27-14-10-11-16-15-6-2-4-8-18(15)23-19(16)12-14/h2-12,23H,13H2,1H3.
What are the key properties of 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 371.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9355907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).