5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide

C19H19ClN4O3 — CID 29149512

About 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 29149512) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 29149512
• Molecular Formula: C19H19ClN4O3
• Molecular Weight: 386.84 g/mol
• Exact Mass: 386.11
• IUPAC Name: 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc(C[C@@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1
• InChI: InChI=1S/C19H19ClN4O3/c1-12-4-3-5-15(22-12)6-13(2)23-19(25)18-8-17(27-24-18)11-26-16-7-14(20)9-21-10-16/h3-5,7-10,13H,6,11H2,1-2H3,(H,23,25)/t13-/m1/s1
• InChIKey: BNRNXKGMWNOGOK-CYBMUJFWSA-N
• XLogP: 3.37
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.84
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 29149512) is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(C[C@@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1.

What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is BNRNXKGMWNOGOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-12-4-3-5-15(22-12)6-13(2)23-19(25)18-8-17(27-24-18)11-26-16-7-14(20)9-21-10-16/h3-5,7-10,13H,6,11H2,1-2H3,(H,23,25)/t13-/m1/s1.

What are the key properties of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29149512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).