(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide

About (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide

(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide (PubChem CID 23748280) has the molecular formula C29H38N2O5 and a molecular weight of 494.63 g/mol. Its IUPAC name is (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name	(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide
PubChem CID	23748280
Molecular Formula	C29H38N2O5
Molecular Weight	494.63 g/mol
Exact Mass	494.28
IUPAC Name	(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide
SMILES	CC(C)OCCCNC(=O)[C@]1(C/C=C/c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1C
InChI	InChI=1S/C29H38N2O5/c1-22(2)34-20-8-18-30-28(33)29(17-7-12-24-10-5-4-6-11-24)23(3)36-27(31-29)25-13-15-26(16-14-25)35-21-9-19-32/h4-7,10-16,22-23,32H,8-9,17-21H2,1-3H3,(H,30,33)/b12-7+/t23-,29-/m1/s1
InChIKey	HKRAGMLGDYUTDC-IVVMCIAWSA-N
XLogP	4.39
TPSA	89.38 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	14
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide?

The IUPAC name of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide (CID 23748280) is (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide.

What is the SMILES notation for (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide?

The canonical SMILES for (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide is CC(C)OCCCNC(=O)[C@]1(C/C=C/c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1C.

What is the InChIKey of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide?

The InChIKey is HKRAGMLGDYUTDC-IVVMCIAWSA-N. The full InChI is InChI=1S/C29H38N2O5/c1-22(2)34-20-8-18-30-28(33)29(17-7-12-24-10-5-4-6-11-24)23(3)36-27(31-29)25-13-15-26(16-14-25)35-21-9-19-32/h4-7,10-16,22-23,32H,8-9,17-21H2,1-3H3,(H,30,33)/b12-7+/t23-,29-/m1/s1.

What are the key properties of (4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide?

(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-5-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide has a molecular weight of 494.63 g/mol, XLogP of 4.39, 14 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-methyl-4-[(E)-3-phenylprop-2-enyl]-N-(3-propan-2-yloxypropyl)-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23748280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).