2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C22H19ClN4O3 — CID 71799016

IUPAC2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C22H19ClN4O3/c1-14-19(20(26-30-14)17-6-2-3-7-18(17)23)22(28)27-11-8-16(9-12-27)29-21-15(13-24)5-4-10-25-21/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyOOBUIYNERDVDBR-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.25
Rot. Bonds4

About 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799016) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799016
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C22H19ClN4O3/c1-14-19(20(26-30-14)17-6-2-3-7-18(17)23)22(28)27-11-8-16(9-12-27)29-21-15(13-24)5-4-10-25-21/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyOOBUIYNERDVDBR-UHFFFAOYSA-N
XLogP4.25
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249271
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2741605
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187368
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90495183
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799016) is 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccc2C#N)CC1.
What is the InChIKey of 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is OOBUIYNERDVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-19(20(26-30-14)17-6-2-3-7-18(17)23)22(28)27-11-8-16(9-12-27)29-21-15(13-24)5-4-10-25-21/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 422.87 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).