2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole

C22H24F2N4O — CID 30956715

IUPAC2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1cccnc1CN1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)CC1
InChIInChI=1S/C22H24F2N4O/c1-15-4-3-5-25-20(15)13-27-6-8-28(9-7-27)14-21-16(2)29-22(26-21)17-10-18(23)12-19(24)11-17/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyLDFWGWTVSBCQIV-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.95
Rot. Bonds5

About 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole

2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 30956715) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID30956715
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1cccnc1CN1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)CC1
InChIInChI=1S/C22H24F2N4O/c1-15-4-3-5-25-20(15)13-27-6-8-28(9-7-27)14-21-16(2)29-22(26-21)17-10-18(23)12-19(24)11-17/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyLDFWGWTVSBCQIV-UHFFFAOYSA-N
XLogP3.95
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole (CID 30956715) is 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole is Cc1cccnc1CN1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is LDFWGWTVSBCQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-15-4-3-5-25-20(15)13-27-6-8-28(9-7-27)14-21-16(2)29-22(26-21)17-10-18(23)12-19(24)11-17/h3-5,10-12H,6-9,13-14H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 398.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 30956715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).