N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C16H17F2N3O3 — CID 84584001

IUPACN-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCNC(=O)c2ccc(F)cc2F)on1
InChIInChI=1S/C16H17F2N3O3/c1-9(2)13-8-14(24-21-13)16(23)20-6-5-19-15(22)11-4-3-10(17)7-12(11)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVYNFAAILRQJVLC-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.24
Rot. Bonds6

About N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 84584001) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID84584001
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC NameN-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCNC(=O)c2ccc(F)cc2F)on1
InChIInChI=1S/C16H17F2N3O3/c1-9(2)13-8-14(24-21-13)16(23)20-6-5-19-15(22)11-4-3-10(17)7-12(11)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVYNFAAILRQJVLC-UHFFFAOYSA-N
XLogP2.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
CID 108572727
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
CID 51102133
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 84584001) is N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCCNC(=O)c2ccc(F)cc2F)on1.
What is the InChIKey of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is VYNFAAILRQJVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-9(2)13-8-14(24-21-13)16(23)20-6-5-19-15(22)11-4-3-10(17)7-12(11)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 84584001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).