N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide

C20H32N4O5 — CID 54645726

About N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide

N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 54645726) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide
• PubChem CID: 54645726
• Molecular Formula: C20H32N4O5
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.24
• IUPAC Name: N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide
• SMILES: Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO
• InChI: InChI=1S/C20H32N4O5/c1-12-18(13(2)29-24-12)23-20(27)22-16-8-7-15(28-17(16)11-25)9-10-21-19(26)14-5-3-4-6-14/h14-17,25H,3-11H2,1-2H3,(H,21,26)(H2,22,23,27)/t15-,16-,17-/m1/s1
• InChIKey: XHDRGBQMMXWPPT-BRWVUGGUSA-N
• XLogP: 2.02
• TPSA: 125.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?

The IUPAC name of N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide (CID 54645726) is N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?

The canonical SMILES for N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide is Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO.

What is the InChIKey of N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?

The InChIKey is XHDRGBQMMXWPPT-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-12-18(13(2)29-24-12)23-20(27)22-16-8-7-15(28-17(16)11-25)9-10-21-19(26)14-5-3-4-6-14/h14-17,25H,3-11H2,1-2H3,(H,21,26)(H2,22,23,27)/t15-,16-,17-/m1/s1.

What are the key properties of N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?

N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,5R,6S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 54645726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).