2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C20H19F2N5O2 — CID 46205890

IUPAC2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCN(c2ccc(-c3oc(-c4c(F)cccc4F)nc3C(N)=O)cn2)CC1
InChIInChI=1S/C20H19F2N5O2/c1-26-7-9-27(10-8-26)15-6-5-12(11-24-15)18-17(19(23)28)25-20(29-18)16-13(21)3-2-4-14(16)22/h2-6,11H,7-10H2,1H3,(H2,23,28)
InChIKeyYVYUOJNOYYYICI-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.53
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 46205890) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID46205890
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCN(c2ccc(-c3oc(-c4c(F)cccc4F)nc3C(N)=O)cn2)CC1
InChIInChI=1S/C20H19F2N5O2/c1-26-7-9-27(10-8-26)15-6-5-12(11-24-15)18-17(19(23)28)25-20(29-18)16-13(21)3-2-4-14(16)22/h2-6,11H,7-10H2,1H3,(H2,23,28)
InChIKeyYVYUOJNOYYYICI-UHFFFAOYSA-N
XLogP2.53
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 46205890) is 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is CN1CCN(c2ccc(-c3oc(-c4c(F)cccc4F)nc3C(N)=O)cn2)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YVYUOJNOYYYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-26-7-9-27(10-8-26)15-6-5-12(11-24-15)18-17(19(23)28)25-20(29-18)16-13(21)3-2-4-14(16)22/h2-6,11H,7-10H2,1H3,(H2,23,28).
What are the key properties of 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46205890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).