4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine

C23H19F2N9O2S — CID 162722438

IUPAC4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5cnc(N6CCOCC6)s5)c4)n3)nc2)o1
InChIInChI=1S/C23H19F2N9O2S/c24-19(25)22-30-29-21(36-22)16-4-5-17(26-11-16)13-34-31-20(28-32-34)15-3-1-2-14(10-15)18-12-27-23(37-18)33-6-8-35-9-7-33/h1-5,10-12,19H,6-9,13H2
InChIKeyBAUKWQAWHAGRFZ-UHFFFAOYSA-N
MW523.53 g/mol
LogP3.73
Rot. Bonds7

About 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine

4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 162722438) has the molecular formula C23H19F2N9O2S and a molecular weight of 523.53 g/mol. Its IUPAC name is 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine
PubChem CID162722438
Molecular FormulaC23H19F2N9O2S
Molecular Weight523.53 g/mol
Exact Mass523.14
IUPAC Name4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5cnc(N6CCOCC6)s5)c4)n3)nc2)o1
InChIInChI=1S/C23H19F2N9O2S/c24-19(25)22-30-29-21(36-22)16-4-5-17(26-11-16)13-34-31-20(28-32-34)15-3-1-2-14(10-15)18-12-27-23(37-18)33-6-8-35-9-7-33/h1-5,10-12,19H,6-9,13H2
InChIKeyBAUKWQAWHAGRFZ-UHFFFAOYSA-N
XLogP3.73
TPSA120.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine (CID 162722438) is 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5cnc(N6CCOCC6)s5)c4)n3)nc2)o1.
What is the InChIKey of 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is BAUKWQAWHAGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O2S/c24-19(25)22-30-29-21(36-22)16-4-5-17(26-11-16)13-34-31-20(28-32-34)15-3-1-2-14(10-15)18-12-27-23(37-18)33-6-8-35-9-7-33/h1-5,10-12,19H,6-9,13H2.
What are the key properties of 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 523.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 162722438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).