3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide

C22H23ClN4O2 — CID 24612254

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C22H23ClN4O2/c23-18-7-3-2-6-17(18)19-15-25-22(29-19)11-10-21(28)26-16-8-9-20(24-14-16)27-12-4-1-5-13-27/h2-3,6-9,14-15H,1,4-5,10-13H2,(H,26,28)
InChIKeyJOIOUWNZSHTQGM-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.95
Rot. Bonds6

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide (PubChem CID 24612254) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
PubChem CID24612254
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C22H23ClN4O2/c23-18-7-3-2-6-17(18)19-15-25-22(29-19)11-10-21(28)26-16-8-9-20(24-14-16)27-12-4-1-5-13-27/h2-3,6-9,14-15H,1,4-5,10-13H2,(H,26,28)
InChIKeyJOIOUWNZSHTQGM-UHFFFAOYSA-N
XLogP4.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30771703
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 36949984
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601143
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487024
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38530556
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 31404712
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 134011139
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26081829
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide (CID 24612254) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is JOIOUWNZSHTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-18-7-3-2-6-17(18)19-15-25-22(29-19)11-10-21(28)26-16-8-9-20(24-14-16)27-12-4-1-5-13-27/h2-3,6-9,14-15H,1,4-5,10-13H2,(H,26,28).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 410.91 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 24612254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).