methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate

C16H17FN2O4 — CID 121255246

IUPACmethyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H17FN2O4/c1-22-15(20)4-2-3-9-18-16(21)13-10-14(23-19-13)11-5-7-12(17)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,18,21)
InChIKeyQKZCWBPMEJOHJX-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.55
Rot. Bonds7

About methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate

methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate (PubChem CID 121255246) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
PubChem CID121255246
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Namemethyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H17FN2O4/c1-22-15(20)4-2-3-9-18-16(21)13-10-14(23-19-13)11-5-7-12(17)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,18,21)
InChIKeyQKZCWBPMEJOHJX-UHFFFAOYSA-N
XLogP2.55
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
CID 127025539
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(4-fluorophenyl)-N-[5-[3-(methylsulfanylamino)azetidin-1-yl]pentyl]-1,2-oxazole-3-carboxamide
CID 142434206
N-[5-[3-(cyanomethylcarbamoyl)azetidin-1-yl]pentyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 135334775
5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 19295789
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide;N-(2-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-propyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 159899323

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate?
The IUPAC name of methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate (CID 121255246) is methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate?
The canonical SMILES for methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate is COC(=O)CCCCNC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate?
The InChIKey is QKZCWBPMEJOHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-22-15(20)4-2-3-9-18-16(21)13-10-14(23-19-13)11-5-7-12(17)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,18,21).
What are the key properties of methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate?
methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate has a molecular weight of 320.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate is sourced from PubChem (CID 121255246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).