[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C20H20N4O2 — CID 120729069

IUPAC[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCNCC3c3cccnc3)on2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-4-6-15(7-5-14)17-11-19(26-23-17)20(25)24-10-9-22-13-18(24)16-3-2-8-21-12-16/h2-8,11-12,18,22H,9-10,13H2,1H3
InChIKeyPWYWLHHPIDCALK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.83
Rot. Bonds3

About [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729069) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729069
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCNCC3c3cccnc3)on2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-4-6-15(7-5-14)17-11-19(26-23-17)20(25)24-10-9-22-13-18(24)16-3-2-8-21-12-16/h2-8,11-12,18,22H,9-10,13H2,1H3
InChIKeyPWYWLHHPIDCALK-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730112
2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
CID 120729448
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730947
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729069) is [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCNCC3c3cccnc3)on2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is PWYWLHHPIDCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-4-6-15(7-5-14)17-11-19(26-23-17)20(25)24-10-9-22-13-18(24)16-3-2-8-21-12-16/h2-8,11-12,18,22H,9-10,13H2,1H3.
What are the key properties of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).