1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide

C20H16FN5O5 — CID 52696100

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1
InChIInChI=1S/C20H16FN5O5/c21-14-4-3-13(26(28)29)10-15(14)23-18(27)12-5-7-25(8-6-12)20-16(11-22)24-19(31-20)17-2-1-9-30-17/h1-4,9-10,12H,5-8H2,(H,23,27)
InChIKeyYHQLDCVXEUSQBT-UHFFFAOYSA-N
MW425.38 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide (PubChem CID 52696100) has the molecular formula C20H16FN5O5 and a molecular weight of 425.38 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide
PubChem CID52696100
Molecular FormulaC20H16FN5O5
Molecular Weight425.38 g/mol
Exact Mass425.11
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1
InChIInChI=1S/C20H16FN5O5/c21-14-4-3-13(26(28)29)10-15(14)23-18(27)12-5-7-25(8-6-12)20-16(11-22)24-19(31-20)17-2-1-9-30-17/h1-4,9-10,12H,5-8H2,(H,23,27)
InChIKeyYHQLDCVXEUSQBT-UHFFFAOYSA-N
XLogP3.71
TPSA138.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide (CID 52696100) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is YHQLDCVXEUSQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O5/c21-14-4-3-13(26(28)29)10-15(14)23-18(27)12-5-7-25(8-6-12)20-16(11-22)24-19(31-20)17-2-1-9-30-17/h1-4,9-10,12H,5-8H2,(H,23,27).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 425.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 52696100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).