3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide

C11H9F2N3O2 — CID 81170611

IUPAC3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCc2ccon2)c1F
InChIInChI=1S/C11H9F2N3O2/c12-7-1-2-8(14)10(13)9(7)11(17)15-5-6-3-4-18-16-6/h1-4H,5,14H2,(H,15,17)
InChIKeyVJRQKXMSAWSDTL-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.47
Rot. Bonds3

About 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide

3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 81170611) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID81170611
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCc2ccon2)c1F
InChIInChI=1S/C11H9F2N3O2/c12-7-1-2-8(14)10(13)9(7)11(17)15-5-6-3-4-18-16-6/h1-4H,5,14H2,(H,15,17)
InChIKeyVJRQKXMSAWSDTL-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

3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
CID 79773668
3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 86783353
3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
CID 81171002
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
3-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 79773036
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 81170611) is 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide is Nc1ccc(F)c(C(=O)NCc2ccon2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is VJRQKXMSAWSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-7-1-2-8(14)10(13)9(7)11(17)15-5-6-3-4-18-16-6/h1-4H,5,14H2,(H,15,17).
What are the key properties of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-amino-2,6-difluoro-N-(1,2-oxazol-3-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 3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 81170611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).