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

C13H13F2N3O2 — CID 106377408

IUPAC4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
SMILESCc1nc(CNC(=O)c2cc(F)c(N)c(F)c2)oc1C
InChIInChI=1S/C13H13F2N3O2/c1-6-7(2)20-11(18-6)5-17-13(19)8-3-9(14)12(16)10(15)4-8/h3-4H,5,16H2,1-2H3,(H,17,19)
InChIKeyNINIVHSXGDGVNU-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.08
Rot. Bonds3

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

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide (PubChem CID 106377408) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
PubChem CID106377408
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
SMILESCc1nc(CNC(=O)c2cc(F)c(N)c(F)c2)oc1C
InChIInChI=1S/C13H13F2N3O2/c1-6-7(2)20-11(18-6)5-17-13(19)8-3-9(14)12(16)10(15)4-8/h3-4H,5,16H2,1-2H3,(H,17,19)
InChIKeyNINIVHSXGDGVNU-UHFFFAOYSA-N
XLogP2.08
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.08
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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376208
2-amino-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106377371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide (CID 106377408) is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide is Cc1nc(CNC(=O)c2cc(F)c(N)c(F)c2)oc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
The InChIKey is NINIVHSXGDGVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-6-7(2)20-11(18-6)5-17-13(19)8-3-9(14)12(16)10(15)4-8/h3-4H,5,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide?
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide has a molecular weight of 281.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 106377408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).