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

C35H32Br2N2O4 — CID 23835931

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

(4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide (PubChem CID 23835931) has the molecular formula C35H32Br2N2O4 and a molecular weight of 704.46 g/mol. Its IUPAC name is (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
• PubChem CID: 23835931
• Molecular Formula: C35H32Br2N2O4
• Molecular Weight: 704.46 g/mol
• Exact Mass: 702.07
• IUPAC Name: (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
• SMILES: O=C(NC1Cc2ccccc2C1)[C@]1(Cc2ccc(Br)cc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1Br
• InChI: InChI=1S/C35H32Br2N2O4/c36-27-14-10-23(11-15-27)22-35(34(41)38-28-20-25-6-1-2-7-26(25)21-28)32(30-8-3-4-9-31(30)37)43-33(39-35)24-12-16-29(17-13-24)42-19-5-18-40/h1-4,6-17,28,32,40H,5,18-22H2,(H,38,41)/t32-,35-/m1/s1
• InChIKey: UPKCVWPDXHSYHN-FHPVIJFVSA-N
• XLogP: 6.76
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.46
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide (CID 23835931) is (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide is O=C(NC1Cc2ccccc2C1)[C@]1(Cc2ccc(Br)cc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1Br.

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

The InChIKey is UPKCVWPDXHSYHN-FHPVIJFVSA-N. The full InChI is InChI=1S/C35H32Br2N2O4/c36-27-14-10-23(11-15-27)22-35(34(41)38-28-20-25-6-1-2-7-26(25)21-28)32(30-8-3-4-9-31(30)37)43-33(39-35)24-12-16-29(17-13-24)42-19-5-18-40/h1-4,6-17,28,32,40H,5,18-22H2,(H,38,41)/t32-,35-/m1/s1.

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

(4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide has a molecular weight of 704.46 g/mol, XLogP of 6.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23835931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).