(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

C14H17N4O2+ — CID 7162064

IUPAC(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1
InChIInChI=1S/C14H16N4O2/c1-11-10-12(16-20-11)14(19)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3/p+1
InChIKeyMPWPLCNNPCTRLL-UHFFFAOYSA-O
MW273.32 g/mol
LogP0.76
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone (PubChem CID 7162064) has the molecular formula C14H17N4O2+ and a molecular weight of 273.32 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
PubChem CID7162064
Molecular FormulaC14H17N4O2+
Molecular Weight273.32 g/mol
Exact Mass273.13
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1
InChIInChI=1S/C14H16N4O2/c1-11-10-12(16-20-11)14(19)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3/p+1
InChIKeyMPWPLCNNPCTRLL-UHFFFAOYSA-O
XLogP0.76
TPSA63.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328432
(5-methyl-1,2-oxazol-3-yl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334658
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
(3-bromophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328430
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725
(5-methyl-1,2-oxazol-3-yl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332554
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108569421
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122334078

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone (CID 7162064) is (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
The InChIKey is MPWPLCNNPCTRLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N4O2/c1-11-10-12(16-20-11)14(19)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3/p+1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone has a molecular weight of 273.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 7162064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).