(4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide

C24H29N5O6 — CID 23947883

About (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide

(4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 23947883) has the molecular formula C24H29N5O6 and a molecular weight of 483.53 g/mol. Its IUPAC name is (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide
• PubChem CID: 23947883
• Molecular Formula: C24H29N5O6
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.21
• IUPAC Name: (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide
• SMILES: C[C@H]1OC(c2ccc(OCCCO)cc2)=N[C@@]1(Cc1ccccc1N=[N+]=[N-])C(=O)NC(CO)CO
• InChI: InChI=1S/C24H29N5O6/c1-16-24(23(33)26-19(14-31)15-32,13-18-5-2-3-6-21(18)28-29-25)27-22(35-16)17-7-9-20(10-8-17)34-12-4-11-30/h2-3,5-10,16,19,30-32H,4,11-15H2,1H3,(H,26,33)/t16-,24-/m1/s1
• InChIKey: KECMYZYJVAKYCW-VOIUYBSRSA-N
• XLogP: 2.01
• TPSA: 169.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide?

The IUPAC name of (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide (CID 23947883) is (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide.

What is the SMILES notation for (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide?

The canonical SMILES for (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide is C[C@H]1OC(c2ccc(OCCCO)cc2)=N[C@@]1(Cc1ccccc1N=[N+]=[N-])C(=O)NC(CO)CO.

What is the InChIKey of (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide?

The InChIKey is KECMYZYJVAKYCW-VOIUYBSRSA-N. The full InChI is InChI=1S/C24H29N5O6/c1-16-24(23(33)26-19(14-31)15-32,13-18-5-2-3-6-21(18)28-29-25)27-22(35-16)17-7-9-20(10-8-17)34-12-4-11-30/h2-3,5-10,16,19,30-32H,4,11-15H2,1H3,(H,26,33)/t16-,24-/m1/s1.

What are the key properties of (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide?

(4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.01, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-4-[(2-azidophenyl)methyl]-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23947883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).