[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone

C14H19N5O2 — CID 124614105

IUPAC[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C14H19N5O2/c1-9-7-19(5-4-15-9)14(20)12-10(2)21-13(17-12)11-6-16-18(3)8-11/h6,8-9,15H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyICIFLGBQYNKAHV-SECBINFHSA-N
MW289.34 g/mol
LogP0.82
Rot. Bonds2

About [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone

[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 124614105) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID124614105
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C14H19N5O2/c1-9-7-19(5-4-15-9)14(20)12-10(2)21-13(17-12)11-6-16-18(3)8-11/h6,8-9,15H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyICIFLGBQYNKAHV-SECBINFHSA-N
XLogP0.82
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone (CID 124614105) is [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@H](C)C1.
What is the InChIKey of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is ICIFLGBQYNKAHV-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-7-19(5-4-15-9)14(20)12-10(2)21-13(17-12)11-6-16-18(3)8-11/h6,8-9,15H,4-5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124614105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).