(2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide

C26H37F3N6O5 — CID 171790597

About (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide

(2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide (PubChem CID 171790597) has the molecular formula C26H37F3N6O5 and a molecular weight of 570.61 g/mol. Its IUPAC name is (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
• PubChem CID: 171790597
• Molecular Formula: C26H37F3N6O5
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.28
• IUPAC Name: (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
• SMILES: COCC(c1ccnc(NC(=O)[C@H](NC(O)c2ocnc2C)C2CCC(C)CC2)c1)N1C[C@@H](C(F)(F)F)NC1O
• InChI: InChI=1S/C26H37F3N6O5/c1-14-4-6-16(7-5-14)21(34-24(37)22-15(2)31-13-40-22)23(36)33-20-10-17(8-9-30-20)18(12-39-3)35-11-19(26(27,28)29)32-25(35)38/h8-10,13-14,16,18-19,21,24-25,32,34,37-38H,4-7,11-12H2,1-3H3,(H,30,33,36)/t14?,16?,18?,19-,21+,24?,25?/m0/s1
• InChIKey: QXQWWSKQIBWHSD-XOSLYWKDSA-N
• XLogP: 2.59
• TPSA: 145.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?

The IUPAC name of (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide (CID 171790597) is (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide.

What is the SMILES notation for (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?

The canonical SMILES for (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide is COCC(c1ccnc(NC(=O)[C@H](NC(O)c2ocnc2C)C2CCC(C)CC2)c1)N1C[C@@H](C(F)(F)F)NC1O.

What is the InChIKey of (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?

The InChIKey is QXQWWSKQIBWHSD-XOSLYWKDSA-N. The full InChI is InChI=1S/C26H37F3N6O5/c1-14-4-6-16(7-5-14)21(34-24(37)22-15(2)31-13-40-22)23(36)33-20-10-17(8-9-30-20)18(12-39-3)35-11-19(26(27,28)29)32-25(35)38/h8-10,13-14,16,18-19,21,24-25,32,34,37-38H,4-7,11-12H2,1-3H3,(H,30,33,36)/t14?,16?,18?,19-,21+,24?,25?/m0/s1.

What are the key properties of (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide?

(2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide has a molecular weight of 570.61 g/mol, XLogP of 2.59, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 171790597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).