N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C19H30N4O5 — CID 166905280

About N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 166905280) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 166905280
• Molecular Formula: C19H30N4O5
• Molecular Weight: 394.47 g/mol
• Exact Mass: 394.22
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2O)no1
• InChI: InChI=1S/C19H30N4O5/c1-11(2)7-15(22-19(27)16-8-12(3)28-23-16)18(26)21-14(10-24)9-13-5-4-6-20-17(13)25/h8,10-11,13-15,17,20,25H,4-7,9H2,1-3H3,(H,21,26)(H,22,27)/t13-,14-,15-,17?/m0/s1
• InChIKey: CNYLNWNOXKKJNW-CKSGOKGCSA-N
• XLogP: 0.52
• TPSA: 133.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.47
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 166905280) is N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2O)no1.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is CNYLNWNOXKKJNW-CKSGOKGCSA-N. The full InChI is InChI=1S/C19H30N4O5/c1-11(2)7-15(22-19(27)16-8-12(3)28-23-16)18(26)21-14(10-24)9-13-5-4-6-20-17(13)25/h8,10-11,13-15,17,20,25H,4-7,9H2,1-3H3,(H,21,26)(H,22,27)/t13-,14-,15-,17?/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 0.52, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[(3S)-2-hydroxypiperidin-3-yl]-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166905280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).