[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone

C13H13ClN4O2 — CID 75432435

IUPAC[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C13H13ClN4O2/c14-10-9-15-3-1-12(10)17-4-6-18(7-5-17)13(19)11-2-8-20-16-11/h1-3,8-9H,4-7H2
InChIKeyCOOJAMPRQGETBE-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.69
Rot. Bonds2

About [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone

[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 75432435) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID75432435
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C13H13ClN4O2/c14-10-9-15-3-1-12(10)17-4-6-18(7-5-17)13(19)11-2-8-20-16-11/h1-3,8-9H,4-7H2
InChIKeyCOOJAMPRQGETBE-UHFFFAOYSA-N
XLogP1.69
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 106683150
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
bis(tert-butyl 4-(3-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate);oxolane
CID 158025291
2-methylpropyl 4-(3-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447737
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276861
(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 97242543

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 75432435) is [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is COOJAMPRQGETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-9-15-3-1-12(10)17-4-6-18(7-5-17)13(19)11-2-8-20-16-11/h1-3,8-9H,4-7H2.
What are the key properties of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone?
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 292.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 75432435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).