N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H22N4O2 — CID 120504755

About N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 120504755) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 120504755
• Molecular Formula: C16H22N4O2
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.17
• IUPAC Name: N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)CN)c12
• InChI: InChI=1S/C16H22N4O2/c1-8(2)14-13-11(15(21)18-9(3)7-17)6-12(10-4-5-10)19-16(13)22-20-14/h6,8-10H,4-5,7,17H2,1-3H3,(H,18,21)/t9-/m0/s1
• InChIKey: YGVDIACKPDRGEK-VIFPVBQESA-N
• XLogP: 2.30
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 120504755) is N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)CN)c12.

What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YGVDIACKPDRGEK-VIFPVBQESA-N. The full InChI is InChI=1S/C16H22N4O2/c1-8(2)14-13-11(15(21)18-9(3)7-17)6-12(10-4-5-10)19-16(13)22-20-14/h6,8-10H,4-5,7,17H2,1-3H3,(H,18,21)/t9-/m0/s1.

What are the key properties of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 120504755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).