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

C19H15F2N7O3 — CID 162722799

IUPAC1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nnc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)o2)cn1
InChIInChI=1S/C19H15F2N7O3/c1-22-19(29)24-13-7-6-12(9-23-13)17-26-25-14(30-17)8-10-2-4-11(5-3-10)16-27-28-18(31-16)15(20)21/h2-7,9,15H,8H2,1H3,(H2,22,23,24,29)
InChIKeyGPCBNISEYXQJGO-UHFFFAOYSA-N
MW427.37 g/mol
LogP3.46
Rot. Bonds6

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

1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea (PubChem CID 162722799) has the molecular formula C19H15F2N7O3 and a molecular weight of 427.37 g/mol. Its IUPAC name is 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea
PubChem CID162722799
Molecular FormulaC19H15F2N7O3
Molecular Weight427.37 g/mol
Exact Mass427.12
IUPAC Name1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nnc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)o2)cn1
InChIInChI=1S/C19H15F2N7O3/c1-22-19(29)24-13-7-6-12(9-23-13)17-26-25-14(30-17)8-10-2-4-11(5-3-10)16-27-28-18(31-16)15(20)21/h2-7,9,15H,8H2,1H3,(H2,22,23,24,29)
InChIKeyGPCBNISEYXQJGO-UHFFFAOYSA-N
XLogP3.46
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-Ethyl-3-[5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205420
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644860
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644885
3-(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 136241425
3-(5-(1-Methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl)-5-(p-tolyl)pyridin-2-amine
CID 77105955
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
4-fluoro-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 132055838
3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884275
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]ethyl]triazol-4-yl]pyridin-2-amine
CID 162722011
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
CID 162722103

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea (CID 162722799) is 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1ccc(-c2nnc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)o2)cn1.
What is the InChIKey of 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea?
The InChIKey is GPCBNISEYXQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7O3/c1-22-19(29)24-13-7-6-12(9-23-13)17-26-25-14(30-17)8-10-2-4-11(5-3-10)16-27-28-18(31-16)15(20)21/h2-7,9,15H,8H2,1H3,(H2,22,23,24,29).
What are the key properties of 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea?
1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea has a molecular weight of 427.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 162722799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).