N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide

C22H24N4O5 — CID 75367017

About N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 75367017) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide
• PubChem CID: 75367017
• Molecular Formula: C22H24N4O5
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide
• SMILES: COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)c4cnccn4)O3)no2)cc1
• InChI: InChI=1S/C22H24N4O5/c1-29-16-4-2-14(3-5-16)20-11-15(26-31-20)10-17-6-7-19(27)21(30-17)13-25-22(28)18-12-23-8-9-24-18/h2-5,8-9,11-12,17,19,21,27H,6-7,10,13H2,1H3,(H,25,28)/t17-,19-,21+/m0/s1
• InChIKey: YKTLXGHRUZACRH-HFSMHLIXSA-N
• XLogP: 2.02
• TPSA: 119.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide?

The IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide (CID 75367017) is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide is COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)c4cnccn4)O3)no2)cc1.

What is the InChIKey of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide?

The InChIKey is YKTLXGHRUZACRH-HFSMHLIXSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-29-16-4-2-14(3-5-16)20-11-15(26-31-20)10-17-6-7-19(27)21(30-17)13-25-22(28)18-12-23-8-9-24-18/h2-5,8-9,11-12,17,19,21,27H,6-7,10,13H2,1H3,(H,25,28)/t17-,19-,21+/m0/s1.

What are the key properties of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide?

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75367017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).