1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide

C21H18FN5O3 — CID 39315489

IUPAC1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccccc2F)oc1N1CCC(C(=O)Nc2c[nH]ccc2=O)CC1
InChIInChI=1S/C21H18FN5O3/c22-15-4-2-1-3-14(15)20-26-16(11-23)21(30-20)27-9-6-13(7-10-27)19(29)25-17-12-24-8-5-18(17)28/h1-5,8,12-13H,6-7,9-10H2,(H,24,28)(H,25,29)
InChIKeyXXQXTLXVGCUFHX-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.90
Rot. Bonds4

About 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide

1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 39315489) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide
PubChem CID39315489
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccccc2F)oc1N1CCC(C(=O)Nc2c[nH]ccc2=O)CC1
InChIInChI=1S/C21H18FN5O3/c22-15-4-2-1-3-14(15)20-26-16(11-23)21(30-20)27-9-6-13(7-10-27)19(29)25-17-12-24-8-5-18(17)28/h1-5,8,12-13H,6-7,9-10H2,(H,24,28)(H,25,29)
InChIKeyXXQXTLXVGCUFHX-UHFFFAOYSA-N
XLogP2.90
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide (CID 39315489) is 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide is N#Cc1nc(-c2ccccc2F)oc1N1CCC(C(=O)Nc2c[nH]ccc2=O)CC1.
What is the InChIKey of 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is XXQXTLXVGCUFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c22-15-4-2-1-3-14(15)20-26-16(11-23)21(30-20)27-9-6-13(7-10-27)19(29)25-17-12-24-8-5-18(17)28/h1-5,8,12-13H,6-7,9-10H2,(H,24,28)(H,25,29).
What are the key properties of 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide?
1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 39315489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).