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

C15H15F2N3O3 — CID 808504

IUPACN-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cc(C)on1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2N3O3/c1-3-20(8-14(21)18-13-6-9(2)23-19-13)15(22)11-5-4-10(16)7-12(11)17/h4-7H,3,8H2,1-2H3,(H,18,19,21)
InChIKeyDPAQZTPYFUQYQV-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.36
Rot. Bonds5

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

N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 808504) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID808504
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC NameN-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cc(C)on1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2N3O3/c1-3-20(8-14(21)18-13-6-9(2)23-19-13)15(22)11-5-4-10(16)7-12(11)17/h4-7H,3,8H2,1-2H3,(H,18,19,21)
InChIKeyDPAQZTPYFUQYQV-UHFFFAOYSA-N
XLogP2.36
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
N-[2-(diethylamino)ethyl]-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5078699
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42768818
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 24981231
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-methoxy-N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4147660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 808504) is N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCN(CC(=O)Nc1cc(C)on1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is DPAQZTPYFUQYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-3-20(8-14(21)18-13-6-9(2)23-19-13)15(22)11-5-4-10(16)7-12(11)17/h4-7H,3,8H2,1-2H3,(H,18,19,21).
What are the key properties of N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 323.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 808504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).