3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide

C18H26N6O3 — CID 120578685

About 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120578685) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
• PubChem CID: 120578685
• Molecular Formula: C18H26N6O3
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.21
• IUPAC Name: 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
• SMILES: Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCCC1CNC(=O)CCN
• InChI: InChI=1S/C18H26N6O3/c1-12-16(22-17(27-12)13-9-21-23(2)11-13)18(26)24-8-4-3-5-14(24)10-20-15(25)6-7-19/h9,11,14H,3-8,10,19H2,1-2H3,(H,20,25)
• InChIKey: JEHJHAJQKOWTOX-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 119.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?

The IUPAC name of 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide (CID 120578685) is 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide.

What is the SMILES notation for 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?

The canonical SMILES for 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCCC1CNC(=O)CCN.

What is the InChIKey of 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?

The InChIKey is JEHJHAJQKOWTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12-16(22-17(27-12)13-9-21-23(2)11-13)18(26)24-8-4-3-5-14(24)10-20-15(25)6-7-19/h9,11,14H,3-8,10,19H2,1-2H3,(H,20,25).

What are the key properties of 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?

3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 374.45 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).