3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one

C21H21ClN4O2 — CID 120729375

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCNCC1c1cccnc1
InChIInChI=1S/C21H21ClN4O2/c22-17-6-2-1-5-16(17)19-14-25-20(28-19)7-8-21(27)26-11-10-24-13-18(26)15-4-3-9-23-12-15/h1-6,9,12,14,18,24H,7-8,10-11,13H2
InChIKeyXNJUESBUODJDDO-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.50
Rot. Bonds5

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 120729375) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID120729375
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCNCC1c1cccnc1
InChIInChI=1S/C21H21ClN4O2/c22-17-6-2-1-5-16(17)19-14-25-20(28-19)7-8-21(27)26-11-10-24-13-18(26)15-4-3-9-23-12-15/h1-6,9,12,14,18,24H,7-8,10-11,13H2
InChIKeyXNJUESBUODJDDO-UHFFFAOYSA-N
XLogP3.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
4-(2,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732685
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564
1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 120729948
3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120732026
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one (CID 120729375) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one is O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is XNJUESBUODJDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-17-6-2-1-5-16(17)19-14-25-20(28-19)7-8-21(27)26-11-10-24-13-18(26)15-4-3-9-23-12-15/h1-6,9,12,14,18,24H,7-8,10-11,13H2.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 396.88 g/mol, XLogP of 3.50, 5 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]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 120729375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).