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

C26H32N2O5 — CID 23947476

IUPAC(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide
SMILESC=CC[C@@]1(C(=O)NCCC)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C26H32N2O5/c1-4-14-26(25(30)27-15-5-2)23(20-8-6-9-22(18-20)31-3)33-24(28-26)19-10-12-21(13-11-19)32-17-7-16-29/h4,6,8-13,18,23,29H,1,5,7,14-17H2,2-3H3,(H,27,30)/t23-,26-/m1/s1
InChIKeyLYCSEBXDENXQDX-ZEQKJWHPSA-N
MW452.55 g/mol
LogP3.82
Rot. Bonds12

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

(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 23947476) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide
PubChem CID23947476
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide
SMILESC=CC[C@@]1(C(=O)NCCC)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C26H32N2O5/c1-4-14-26(25(30)27-15-5-2)23(20-8-6-9-22(18-20)31-3)33-24(28-26)19-10-12-21(13-11-19)32-17-7-16-29/h4,6,8-13,18,23,29H,1,5,7,14-17H2,2-3H3,(H,27,30)/t23-,26-/m1/s1
InChIKeyLYCSEBXDENXQDX-ZEQKJWHPSA-N
XLogP3.82
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-N'-pentyl-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23778063
(4R,5R)-N-butyl-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]-5H-1,3-oxazole-4-carboxamide
CID 23836131
(4S,5S)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-N'-(3-propan-2-yloxypropyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23778064
(4R,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23947477
(4S,5S)-N'-[(3,4-dichlorophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carbohydrazide
CID 23863443
(4R,5R)-5-(4-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23835310
(4R,5R)-5-(2-bromophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide
CID 23920154
(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]-5-methyl-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23749132
(4R,5R)-N-butyl-5-(2,4-dichlorophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23863637
(4R,5R)-5-(4-bromophenyl)-N-(3,3-dimethylbutyl)-2-[4-(3-hydroxypropoxy)phenyl]-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23748435
(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-N-methyl-5-(4-phenylphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23749307
(4R,5R)-4-benzyl-N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-5H-1,3-oxazole-4-carboxamide
CID 23976218

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide (CID 23947476) is (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide is C=CC[C@@]1(C(=O)NCCC)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1cccc(OC)c1.
What is the InChIKey of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide?
The InChIKey is LYCSEBXDENXQDX-ZEQKJWHPSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-4-14-26(25(30)27-15-5-2)23(20-8-6-9-22(18-20)31-3)33-24(28-26)19-10-12-21(13-11-19)32-17-7-16-29/h4,6,8-13,18,23,29H,1,5,7,14-17H2,2-3H3,(H,27,30)/t23-,26-/m1/s1.
What are the key properties of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide?
(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 3.82, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-N-propyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23947476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).