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

C25H29N5O6 — CID 23976123

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

(4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 23976123) has the molecular formula C25H29N5O6 and a molecular weight of 495.54 g/mol. Its IUPAC name is (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
• PubChem CID: 23976123
• Molecular Formula: C25H29N5O6
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.21
• IUPAC Name: (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
• SMILES: C=CC[C@@]1(C(=O)NC(CO)CO)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-]
• InChI: InChI=1S/C25H29N5O6/c1-2-12-25(24(34)27-18(15-32)16-33)22(20-6-3-4-7-21(20)29-30-26)36-23(28-25)17-8-10-19(11-9-17)35-14-5-13-31/h2-4,6-11,18,22,31-33H,1,5,12-16H2,(H,27,34)/t22-,25-/m1/s1
• InChIKey: IZRVIXLDBSDTHA-RCZVLFRGSA-N
• XLogP: 2.69
• TPSA: 169.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	2.69
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide (CID 23976123) is (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide is C=CC[C@@]1(C(=O)NC(CO)CO)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-].

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

The InChIKey is IZRVIXLDBSDTHA-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H29N5O6/c1-2-12-25(24(34)27-18(15-32)16-33)22(20-6-3-4-7-21(20)29-30-26)36-23(28-25)17-8-10-19(11-9-17)35-14-5-13-31/h2-4,6-11,18,22,31-33H,1,5,12-16H2,(H,27,34)/t22-,25-/m1/s1.

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

(4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 2.69, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-(2-azidophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23976123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).