(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide

C32H37N3O5 — CID 24868511

IUPAC(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C32H37N3O5/c36-20-7-21-39-28-14-12-27(13-15-28)30-34-32(24-25-8-3-1-4-9-25,29(40-30)26-10-5-2-6-11-26)31(37)33-16-17-35-18-22-38-23-19-35/h1-6,8-15,29,36H,7,16-24H2,(H,33,37)/t29-,32-/m1/s1
InChIKeyYLXWXGNIEBHABW-QLWXXVCSSA-N
MW543.66 g/mol
LogP3.40
Rot. Bonds12

About (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide

(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 24868511) has the molecular formula C32H37N3O5 and a molecular weight of 543.66 g/mol. Its IUPAC name is (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide
PubChem CID24868511
Molecular FormulaC32H37N3O5
Molecular Weight543.66 g/mol
Exact Mass543.27
IUPAC Name(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C32H37N3O5/c36-20-7-21-39-28-14-12-27(13-15-28)30-34-32(24-25-8-3-1-4-9-25,29(40-30)26-10-5-2-6-11-26)31(37)33-16-17-35-18-22-38-23-19-35/h1-6,8-15,29,36H,7,16-24H2,(H,33,37)/t29-,32-/m1/s1
InChIKeyYLXWXGNIEBHABW-QLWXXVCSSA-N
XLogP3.40
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.66
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-benzyl-N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-1,3-oxazole-4-carboxamide
CID 23920017
(4R,5R)-4-[2-(benzenesulfonyl)ethyl]-5-(4-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5H-1,3-oxazole-4-carboxamide
CID 23835972
(4R,5R)-N,4-dibenzyl-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazole-4-carboxamide
CID 23891424
[(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 23891427
(4R,5R)-4-benzyl-N-[(4-chlorophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-1,3-oxazole-4-carboxamide
CID 23806492
(4S,5S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N',5-diphenyl-5H-1,3-oxazole-4-carbohydrazide
CID 23806957
(4R,5R)-4-benzyl-N-(2,3-dihydroxypropyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-1,3-oxazole-4-carboxamide
CID 23806139
(4S,5S)-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-N'-(2-morpholin-4-ylethyl)-5H-1,3-oxazole-4-carbohydrazide
CID 23835891
(4R,5R)-N-benzyl-5-(4-bromophenyl)-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxamide
CID 23835998
(4R,5R)-4-benzyl-N-[2-(4-bromophenyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazole-4-carboxamide
CID 23919473
(4S,5S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-N'-(4-phenylbutyl)-5H-1,3-oxazole-4-carbohydrazide
CID 23975661
(4S,5S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-1,3-oxazole-4-carboxamide
CID 23834909

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide (CID 24868511) is (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide is O=C(NCCN1CCOCC1)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide?
The InChIKey is YLXWXGNIEBHABW-QLWXXVCSSA-N. The full InChI is InChI=1S/C32H37N3O5/c36-20-7-21-39-28-14-12-27(13-15-28)30-34-32(24-25-8-3-1-4-9-25,29(40-30)26-10-5-2-6-11-26)31(37)33-16-17-35-18-22-38-23-19-35/h1-6,8-15,29,36H,7,16-24H2,(H,33,37)/t29-,32-/m1/s1.
What are the key properties of (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide?
(4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 543.66 g/mol, XLogP of 3.40, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-(2-morpholin-4-ylethyl)-5-phenyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24868511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).