4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide

C10H8F2N4O2 — CID 55236272

IUPAC4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C10H8F2N4O2/c11-6-1-2-7(12)5(3-6)4-14-10(17)8-9(13)16-18-15-8/h1-3H,4H2,(H2,13,16)(H,14,17)
InChIKeyILIZMDILHBAMGR-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.86
Rot. Bonds3

About 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55236272) has the molecular formula C10H8F2N4O2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID55236272
Molecular FormulaC10H8F2N4O2
Molecular Weight254.20 g/mol
Exact Mass254.06
IUPAC Name4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C10H8F2N4O2/c11-6-1-2-7(12)5(3-6)4-14-10(17)8-9(13)16-18-15-8/h1-3H,4H2,(H2,13,16)(H,14,17)
InChIKeyILIZMDILHBAMGR-UHFFFAOYSA-N
XLogP0.86
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471
4-amino-N-[2-[(4-fluorophenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2304316
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 55236272) is 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ILIZMDILHBAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O2/c11-6-1-2-7(12)5(3-6)4-14-10(17)8-9(13)16-18-15-8/h1-3H,4H2,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 254.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).