1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide

C16H19FN3O2+ — CID 8557110

IUPAC1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C16H18FN3O2/c17-13-3-1-11(2-4-13)14-9-19-15(22-14)10-20-7-5-12(6-8-20)16(18)21/h1-4,9,12H,5-8,10H2,(H2,18,21)/p+1
InChIKeyNKRGMIUMJUTCNR-UHFFFAOYSA-O
MW304.35 g/mol
LogP0.76
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide

1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide (PubChem CID 8557110) has the molecular formula C16H19FN3O2+ and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide
PubChem CID8557110
Molecular FormulaC16H19FN3O2+
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C16H18FN3O2/c17-13-3-1-11(2-4-13)14-9-19-15(22-14)10-20-7-5-12(6-8-20)16(18)21/h1-4,9,12H,5-8,10H2,(H2,18,21)/p+1
InChIKeyNKRGMIUMJUTCNR-UHFFFAOYSA-O
XLogP0.76
TPSA73.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-3-carboxamide
CID 8544160
2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 9028352
1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 6926827
1-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 9023060
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95141474
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 8966508
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide (CID 8557110) is 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is NKRGMIUMJUTCNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18FN3O2/c17-13-3-1-11(2-4-13)14-9-19-15(22-14)10-20-7-5-12(6-8-20)16(18)21/h1-4,9,12H,5-8,10H2,(H2,18,21)/p+1.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide?
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8557110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).