2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole

C19H19F2N3OS — CID 45228295

IUPAC2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCCC1c1nccs1
InChIInChI=1S/C19H19F2N3OS/c1-12-16(23-18(25-12)13-8-14(20)10-15(21)9-13)11-24-6-3-2-4-17(24)19-22-5-7-26-19/h5,7-10,17H,2-4,6,11H2,1H3
InChIKeyMENRCJCWSHDCGU-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.11
Rot. Bonds4

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

2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 45228295) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID45228295
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC Name2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCCC1c1nccs1
InChIInChI=1S/C19H19F2N3OS/c1-12-16(23-18(25-12)13-8-14(20)10-15(21)9-13)11-24-6-3-2-4-17(24)19-22-5-7-26-19/h5,7-10,17H,2-4,6,11H2,1H3
InChIKeyMENRCJCWSHDCGU-UHFFFAOYSA-N
XLogP5.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.11
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-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 45228295) is 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCCC1c1nccs1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MENRCJCWSHDCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-12-16(23-18(25-12)13-8-14(20)10-15(21)9-13)11-24-6-3-2-4-17(24)19-22-5-7-26-19/h5,7-10,17H,2-4,6,11H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
2-(3,5-difluorophenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 375.44 g/mol, XLogP of 5.11, 4 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-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 45228295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).