N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide

C24H29N7O4 — CID 70955181

IUPACN-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C24H29N7O4/c1-3-16(4-2)28-21(32)18-14-25-11-6-19(18)29-22(33)20-15-34-24(30-20)31-12-7-17(8-13-31)35-23-26-9-5-10-27-23/h5-6,9-11,14-17H,3-4,7-8,12-13H2,1-2H3,(H,28,32)(H,25,29,33)
InChIKeyRDCVQBOVISOAQQ-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.08
Rot. Bonds9

About N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide

N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 70955181) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID70955181
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC NameN-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C24H29N7O4/c1-3-16(4-2)28-21(32)18-14-25-11-6-19(18)29-22(33)20-15-34-24(30-20)31-12-7-17(8-13-31)35-23-26-9-5-10-27-23/h5-6,9-11,14-17H,3-4,7-8,12-13H2,1-2H3,(H,28,32)(H,25,29,33)
InChIKeyRDCVQBOVISOAQQ-UHFFFAOYSA-N
XLogP3.08
TPSA135.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide (CID 70955181) is N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide is CCC(CC)NC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is RDCVQBOVISOAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-3-16(4-2)28-21(32)18-14-25-11-6-19(18)29-22(33)20-15-34-24(30-20)31-12-7-17(8-13-31)35-23-26-9-5-10-27-23/h5-6,9-11,14-17H,3-4,7-8,12-13H2,1-2H3,(H,28,32)(H,25,29,33).
What are the key properties of N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide?
N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentan-3-ylcarbamoyl)-4-pyridinyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70955181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).