2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide

C19H19ClN6O3 — CID 135186883

IUPAC2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cnc(OC4CCNCC4)nc3)ccc2Cl)co1
InChIInChI=1S/C19H19ClN6O3/c20-14-2-1-11(7-15(14)25-17(27)16-10-28-18(21)26-16)12-8-23-19(24-9-12)29-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H2,21,26)(H,25,27)
InChIKeyXRCGBJGLLLFZPH-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.75
Rot. Bonds5

About 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186883) has the molecular formula C19H19ClN6O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186883
Molecular FormulaC19H19ClN6O3
Molecular Weight414.85 g/mol
Exact Mass414.12
IUPAC Name2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cnc(OC4CCNCC4)nc3)ccc2Cl)co1
InChIInChI=1S/C19H19ClN6O3/c20-14-2-1-11(7-15(14)25-17(27)16-10-28-18(21)26-16)12-8-23-19(24-9-12)29-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H2,21,26)(H,25,27)
InChIKeyXRCGBJGLLLFZPH-UHFFFAOYSA-N
XLogP2.75
TPSA128.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 135186883) is 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)Nc2cc(-c3cnc(OC4CCNCC4)nc3)ccc2Cl)co1.
What is the InChIKey of 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XRCGBJGLLLFZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O3/c20-14-2-1-11(7-15(14)25-17(27)16-10-28-18(21)26-16)12-8-23-19(24-9-12)29-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H2,21,26)(H,25,27).
What are the key properties of 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).