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

C21H18F2N8O3 — CID 162722522

IUPAC[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1)N1CCOCC1
InChIInChI=1S/C21H18F2N8O3/c22-17(23)20-27-26-19(34-20)15-4-5-16(24-11-15)12-31-28-18(25-29-31)13-2-1-3-14(10-13)21(32)30-6-8-33-9-7-30/h1-5,10-11,17H,6-9,12H2
InChIKeyZBABNQFYKMKTML-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.24
Rot. Bonds6

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

[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 162722522) has the molecular formula C21H18F2N8O3 and a molecular weight of 468.42 g/mol. Its IUPAC name is [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID162722522
Molecular FormulaC21H18F2N8O3
Molecular Weight468.42 g/mol
Exact Mass468.15
IUPAC Name[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1)N1CCOCC1
InChIInChI=1S/C21H18F2N8O3/c22-17(23)20-27-26-19(34-20)15-4-5-16(24-11-15)12-31-28-18(25-29-31)13-2-1-3-14(10-13)21(32)30-6-8-33-9-7-30/h1-5,10-11,17H,6-9,12H2
InChIKeyZBABNQFYKMKTML-UHFFFAOYSA-N
XLogP2.24
TPSA124.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

US10464911, Example 38
CID 126507754
US10464911, Example 39
CID 126508535
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162721983
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162722023
7'-(2-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-2H-tetrazol-5-yl)-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one
CID 162722200
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722264
N-[3-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722432
4-(5-(3-(2-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-2H-tetrazol-5-yl)phenyl)thiazol-2-yl)morpholine
CID 162722438
6-[2-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
CID 162722513
3-[2-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide
CID 162722549
3-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]benzamide
CID 162722742
N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide
CID 162722793

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 162722522) is [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1)N1CCOCC1.
What is the InChIKey of [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZBABNQFYKMKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8O3/c22-17(23)20-27-26-19(34-20)15-4-5-16(24-11-15)12-31-28-18(25-29-31)13-2-1-3-14(10-13)21(32)30-6-8-33-9-7-30/h1-5,10-11,17H,6-9,12H2.
What are the key properties of [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 468.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162722522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).