2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H9F2N3O2 — CID 114185706

IUPAC2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1cc(F)c(F)cc1C(=O)NCc1ccno1
InChIInChI=1S/C11H9F2N3O2/c12-8-3-7(10(14)4-9(8)13)11(17)15-5-6-1-2-16-18-6/h1-4H,5,14H2,(H,15,17)
InChIKeyLWPIVDKTYXWBJW-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide

2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 114185706) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID114185706
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1cc(F)c(F)cc1C(=O)NCc1ccno1
InChIInChI=1S/C11H9F2N3O2/c12-8-3-7(10(14)4-9(8)13)11(17)15-5-6-1-2-16-18-6/h1-4H,5,14H2,(H,15,17)
InChIKeyLWPIVDKTYXWBJW-UHFFFAOYSA-N
XLogP1.47
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
2-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423000
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422440
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106391337
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422360
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 114185706) is 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide is Nc1cc(F)c(F)cc1C(=O)NCc1ccno1.
What is the InChIKey of 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is LWPIVDKTYXWBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-8-3-7(10(14)4-9(8)13)11(17)15-5-6-1-2-16-18-6/h1-4H,5,14H2,(H,15,17).
What are the key properties of 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 253.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 114185706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).