[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone

C19H21FN6O2 — CID 126767836

IUPAC[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3cn(-c4ccc(F)cc4C)nn3)CC2)on1
InChIInChI=1S/C19H21FN6O2/c1-13-9-15(20)3-4-18(13)26-12-17(21-23-26)19(27)25-7-5-24(6-8-25)11-16-10-14(2)22-28-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyPJHMPQUVTWBSIN-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.97
Rot. Bonds4

About [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone

[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 126767836) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID126767836
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3cn(-c4ccc(F)cc4C)nn3)CC2)on1
InChIInChI=1S/C19H21FN6O2/c1-13-9-15(20)3-4-18(13)26-12-17(21-23-26)19(27)25-7-5-24(6-8-25)11-16-10-14(2)22-28-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyPJHMPQUVTWBSIN-UHFFFAOYSA-N
XLogP1.97
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (CID 126767836) is [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(CN2CCN(C(=O)c3cn(-c4ccc(F)cc4C)nn3)CC2)on1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is PJHMPQUVTWBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-13-9-15(20)3-4-18(13)26-12-17(21-23-26)19(27)25-7-5-24(6-8-25)11-16-10-14(2)22-28-16/h3-4,9-10,12H,5-8,11H2,1-2H3.
What are the key properties of [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 384.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126767836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).