4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C13H13F2N3O2 — CID 63183718

IUPAC4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCCNc1c(F)cc(C(=O)Nc2cc(C)no2)cc1F
InChIInChI=1S/C13H13F2N3O2/c1-3-16-12-9(14)5-8(6-10(12)15)13(19)17-11-4-7(2)18-20-11/h4-6,16H,3H2,1-2H3,(H,17,19)
InChIKeyKETDFLHMVICBFG-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.95
Rot. Bonds4

About 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide

4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 63183718) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID63183718
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCCNc1c(F)cc(C(=O)Nc2cc(C)no2)cc1F
InChIInChI=1S/C13H13F2N3O2/c1-3-16-12-9(14)5-8(6-10(12)15)13(19)17-11-4-7(2)18-20-11/h4-6,16H,3H2,1-2H3,(H,17,19)
InChIKeyKETDFLHMVICBFG-UHFFFAOYSA-N
XLogP2.95
TPSA67.16 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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62184915
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 102850771
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 63183718) is 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is CCNc1c(F)cc(C(=O)Nc2cc(C)no2)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is KETDFLHMVICBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-3-16-12-9(14)5-8(6-10(12)15)13(19)17-11-4-7(2)18-20-11/h4-6,16H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 281.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 63183718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).