5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide

C16H21F3N6O2 — CID 120812771

IUPAC5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H21F3N6O2/c1-10-13(23-15(27-10)11-7-22-24(2)9-11)14(26)21-8-12(16(17,18)19)25-5-3-20-4-6-25/h7,9,12,20H,3-6,8H2,1-2H3,(H,21,26)
InChIKeyQYQRZXKSLAKOFQ-UHFFFAOYSA-N
MW386.38 g/mol
LogP0.95
Rot. Bonds5

About 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide

5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 120812771) has the molecular formula C16H21F3N6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID120812771
Molecular FormulaC16H21F3N6O2
Molecular Weight386.38 g/mol
Exact Mass386.17
IUPAC Name5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H21F3N6O2/c1-10-13(23-15(27-10)11-7-22-24(2)9-11)14(26)21-8-12(16(17,18)19)25-5-3-20-4-6-25/h7,9,12,20H,3-6,8H2,1-2H3,(H,21,26)
InChIKeyQYQRZXKSLAKOFQ-UHFFFAOYSA-N
XLogP0.95
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 120812771) is 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QYQRZXKSLAKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O2/c1-10-13(23-15(27-10)11-7-22-24(2)9-11)14(26)21-8-12(16(17,18)19)25-5-3-20-4-6-25/h7,9,12,20H,3-6,8H2,1-2H3,(H,21,26).
What are the key properties of 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 120812771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).