(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone

C22H24ClN5O2 — CID 53182187

IUPAC(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C22H24ClN5O2/c1-15(2)19-25-21(30-26-19)18-8-4-9-24-20(18)27-10-5-11-28(13-12-27)22(29)16-6-3-7-17(23)14-16/h3-4,6-9,14-15H,5,10-13H2,1-2H3
InChIKeyIGWIKINJZIPWRV-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.26
Rot. Bonds4

About (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone

(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone (PubChem CID 53182187) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
PubChem CID53182187
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C22H24ClN5O2/c1-15(2)19-25-21(30-26-19)18-8-4-9-24-20(18)27-10-5-11-28(13-12-27)22(29)16-6-3-7-17(23)14-16/h3-4,6-9,14-15H,5,10-13H2,1-2H3
InChIKeyIGWIKINJZIPWRV-UHFFFAOYSA-N
XLogP4.26
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182198
4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 143793994
(3,5-dimethylphenyl)-[4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182170
(4-methoxyphenyl)-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182130
[4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 53182151
(3-chlorophenyl)-[4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 136515481
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53182065
(3-chlorophenyl)-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757687
(3-chlorophenyl)-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133298621
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238351
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
(3-chlorophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 133328581

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone (CID 53182187) is (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone is CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is IGWIKINJZIPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-15(2)19-25-21(30-26-19)18-8-4-9-24-20(18)27-10-5-11-28(13-12-27)22(29)16-6-3-7-17(23)14-16/h3-4,6-9,14-15H,5,10-13H2,1-2H3.
What are the key properties of (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 425.92 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 53182187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).