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

C24H27N5O4 — CID 23863479

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

(4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide (PubChem CID 23863479) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
• PubChem CID: 23863479
• Molecular Formula: C24H27N5O4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.21
• IUPAC Name: (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
• SMILES: [N-]=[N+]=Nc1ccccc1C[C@]1(C(=O)NCC2CC2)COC(c2ccc(OCCCO)cc2)=N1
• InChI: InChI=1S/C24H27N5O4/c25-29-28-21-5-2-1-4-19(21)14-24(23(31)26-15-17-6-7-17)16-33-22(27-24)18-8-10-20(11-9-18)32-13-3-12-30/h1-2,4-5,8-11,17,30H,3,6-7,12-16H2,(H,26,31)/t24-/m1/s1
• InChIKey: ACIMEYFHOQAWMQ-XMMPIXPASA-N
• XLogP: 3.67
• TPSA: 128.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide?

The IUPAC name of (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide (CID 23863479) is (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide is [N-]=[N+]=Nc1ccccc1C[C@]1(C(=O)NCC2CC2)COC(c2ccc(OCCCO)cc2)=N1.

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

The InChIKey is ACIMEYFHOQAWMQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N5O4/c25-29-28-21-5-2-1-4-19(21)14-24(23(31)26-15-17-6-7-17)16-33-22(27-24)18-8-10-20(11-9-18)32-13-3-12-30/h1-2,4-5,8-11,17,30H,3,6-7,12-16H2,(H,26,31)/t24-/m1/s1.

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

(4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(2-azidophenyl)methyl]-N-(cyclopropylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23863479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).