N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C16H19FN4O2 — CID 166270185

IUPACN-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1cc(CC2CCNCC2)on1
InChIInChI=1S/C16H19FN4O2/c17-11-1-2-13(18)14(8-11)20-16(22)15-9-12(23-21-15)7-10-3-5-19-6-4-10/h1-2,8-10,19H,3-7,18H2,(H,20,22)
InChIKeyRCHGSUBAOJYLJQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.19
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 166270185) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID166270185
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1cc(CC2CCNCC2)on1
InChIInChI=1S/C16H19FN4O2/c17-11-1-2-13(18)14(8-11)20-16(22)15-9-12(23-21-15)7-10-3-5-19-6-4-10/h1-2,8-10,19H,3-7,18H2,(H,20,22)
InChIKeyRCHGSUBAOJYLJQ-UHFFFAOYSA-N
XLogP2.19
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115093984
N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide
CID 167990540
N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
CID 167775583
N-(2-amino-5-fluorophenyl)-2-chlorofuran-3-carboxamide
CID 106683261
N-(2-amino-5-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63257543
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83848363
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581387
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 166270185) is N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide is Nc1ccc(F)cc1NC(=O)c1cc(CC2CCNCC2)on1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RCHGSUBAOJYLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-11-1-2-13(18)14(8-11)20-16(22)15-9-12(23-21-15)7-10-3-5-19-6-4-10/h1-2,8-10,19H,3-7,18H2,(H,20,22).
What are the key properties of N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166270185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).