4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide

C13H13F2N3O2 — CID 106377037

IUPAC4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
SMILESCCc1cnc(CNC(=O)c2cc(F)c(N)c(F)c2)o1
InChIInChI=1S/C13H13F2N3O2/c1-2-8-5-17-11(20-8)6-18-13(19)7-3-9(14)12(16)10(15)4-7/h3-5H,2,6,16H2,1H3,(H,18,19)
InChIKeyUWGLTDVPNUIAEV-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.03
Rot. Bonds4

About 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide (PubChem CID 106377037) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
PubChem CID106377037
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
SMILESCCc1cnc(CNC(=O)c2cc(F)c(N)c(F)c2)o1
InChIInChI=1S/C13H13F2N3O2/c1-2-8-5-17-11(20-8)6-18-13(19)7-3-9(14)12(16)10(15)4-7/h3-5H,2,6,16H2,1H3,(H,18,19)
InChIKeyUWGLTDVPNUIAEV-UHFFFAOYSA-N
XLogP2.03
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.03
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

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377408
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106375670
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 106369443
5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
CID 104890839
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 106377448

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide (CID 106377037) is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide is CCc1cnc(CNC(=O)c2cc(F)c(N)c(F)c2)o1.
What is the InChIKey of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
The InChIKey is UWGLTDVPNUIAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-8-5-17-11(20-8)6-18-13(19)7-3-9(14)12(16)10(15)4-7/h3-5H,2,6,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide has a molecular weight of 281.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 106377037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).