2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C16H18F3N5O2 — CID 122546481

IUPAC2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(CN3CCNCC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C16H18F3N5O2/c1-10-22-13(14(26-10)16(17,18)19)15(25)23-11-2-3-12(21-8-11)9-24-6-4-20-5-7-24/h2-3,8,20H,4-7,9H2,1H3,(H,23,25)
InChIKeyNZMLCFFTOHDOES-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 122546481) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID122546481
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(CN3CCNCC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C16H18F3N5O2/c1-10-22-13(14(26-10)16(17,18)19)15(25)23-11-2-3-12(21-8-11)9-24-6-4-20-5-7-24/h2-3,8,20H,4-7,9H2,1H3,(H,23,25)
InChIKeyNZMLCFFTOHDOES-UHFFFAOYSA-N
XLogP2.05
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 122546481) is 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(CN3CCNCC3)nc2)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NZMLCFFTOHDOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-10-22-13(14(26-10)16(17,18)19)15(25)23-11-2-3-12(21-8-11)9-24-6-4-20-5-7-24/h2-3,8,20H,4-7,9H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122546481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).