N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C17H16F2N4O3 — CID 50985002

IUPACN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)no1
InChIInChI=1S/C17H16F2N4O3/c1-9(2)6-10-7-13(22-25-10)16(24)20-8-14-21-17(26-23-14)15-11(18)4-3-5-12(15)19/h3-5,7,9H,6,8H2,1-2H3,(H,20,24)
InChIKeyKJDGOAPGGCMELX-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.13
Rot. Bonds6

About N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 50985002) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID50985002
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)no1
InChIInChI=1S/C17H16F2N4O3/c1-9(2)6-10-7-13(22-25-10)16(24)20-8-14-21-17(26-23-14)15-11(18)4-3-5-12(15)19/h3-5,7,9H,6,8H2,1-2H3,(H,20,24)
InChIKeyKJDGOAPGGCMELX-UHFFFAOYSA-N
XLogP3.13
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

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CID 156198094
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CID 156198099
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CID 156198100
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CID 2971764
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CID 162669293
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 50985002) is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)no1.
What is the InChIKey of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KJDGOAPGGCMELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-9(2)6-10-7-13(22-25-10)16(24)20-8-14-21-17(26-23-14)15-11(18)4-3-5-12(15)19/h3-5,7,9H,6,8H2,1-2H3,(H,20,24).
What are the key properties of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 362.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50985002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).