N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

C15H16FN3O3 — CID 645214

IUPACN-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
SMILESCc1cc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C15H16FN3O3/c1-10-9-13(19-22-10)18-15(21)4-2-3-14(20)17-12-7-5-11(16)6-8-12/h5-9H,2-4H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyOGPHVMFQMHLHFW-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.87
Rot. Bonds6

About N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide (PubChem CID 645214) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
PubChem CID645214
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
SMILESCc1cc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C15H16FN3O3/c1-10-9-13(19-22-10)18-15(21)4-2-3-14(20)17-12-7-5-11(16)6-8-12/h5-9H,2-4H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyOGPHVMFQMHLHFW-UHFFFAOYSA-N
XLogP2.87
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide
CID 110619325
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17259133
3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 7892732
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
CID 110429046
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 821621

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide (CID 645214) is N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide is Cc1cc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)no1.
What is the InChIKey of N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The InChIKey is OGPHVMFQMHLHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-10-9-13(19-22-10)18-15(21)4-2-3-14(20)17-12-7-5-11(16)6-8-12/h5-9H,2-4H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide has a molecular weight of 305.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide is sourced from PubChem (CID 645214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).