5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole

C15H19ClN4O — CID 142065760

IUPAC5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole
SMILESCC(C)(c1ncc(-c2ccc(Cl)cn2)o1)N1CCNCC1
InChIInChI=1S/C15H19ClN4O/c1-15(2,20-7-5-17-6-8-20)14-19-10-13(21-14)12-4-3-11(16)9-18-12/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyBYYPTJIDQKMGNZ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.53
Rot. Bonds3

About 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole

5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole (PubChem CID 142065760) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole
PubChem CID142065760
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole
SMILESCC(C)(c1ncc(-c2ccc(Cl)cn2)o1)N1CCNCC1
InChIInChI=1S/C15H19ClN4O/c1-15(2,20-7-5-17-6-8-20)14-19-10-13(21-14)12-4-3-11(16)9-18-12/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyBYYPTJIDQKMGNZ-UHFFFAOYSA-N
XLogP2.53
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole
CID 142065629
2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065690
1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
CID 112709168
5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
CID 138668016
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 63342649
5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 103121926
5-chloro-2-(2,5-dimethylpyrazol-3-yl)pyridine
CID 167062904
2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771551
N,N,2-trimethyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116914016
4-chloro-2,5-bis[1-(4-chlorophenyl)-1-piperazin-1-ylethyl]quinazoline
CID 87710560

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole?
The IUPAC name of 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole (CID 142065760) is 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole.
What is the SMILES notation for 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole?
The canonical SMILES for 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole is CC(C)(c1ncc(-c2ccc(Cl)cn2)o1)N1CCNCC1.
What is the InChIKey of 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole?
The InChIKey is BYYPTJIDQKMGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-15(2,20-7-5-17-6-8-20)14-19-10-13(21-14)12-4-3-11(16)9-18-12/h3-4,9-10,17H,5-8H2,1-2H3.
What are the key properties of 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole?
5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole has a molecular weight of 306.80 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-pyridinyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole is sourced from PubChem (CID 142065760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).