N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide

C22H26N2O4 — CID 7264819

IUPACN-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide
SMILESCCCN(C[C@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)COc1ccccc1
InChIInChI=1S/C22H26N2O4/c1-3-13-24(22(25)16-27-19-7-5-4-6-8-19)15-20-14-21(23-28-20)17-9-11-18(26-2)12-10-17/h4-12,20H,3,13-16H2,1-2H3/t20-/m1/s1
InChIKeyAGHSSPMQVMDCEC-HXUWFJFHSA-N
MW382.46 g/mol
LogP3.51
Rot. Bonds9

About N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide

N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide (PubChem CID 7264819) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide
PubChem CID7264819
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide
SMILESCCCN(C[C@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)COc1ccccc1
InChIInChI=1S/C22H26N2O4/c1-3-13-24(22(25)16-27-19-7-5-4-6-8-19)15-20-14-21(23-28-20)17-9-11-18(26-2)12-10-17/h4-12,20H,3,13-16H2,1-2H3/t20-/m1/s1
InChIKeyAGHSSPMQVMDCEC-HXUWFJFHSA-N
XLogP3.51
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide
CID 42790209
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylpropanamide
CID 24715443
N-benzyl-N-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methoxybenzamide
CID 4176910
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 42815695
2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylbenzamide
CID 42790305
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 93128456
4-fluoro-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 93115807
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 42790273
ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
CID 42790278

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide?
The IUPAC name of N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide (CID 7264819) is N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide.
What is the SMILES notation for N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide?
The canonical SMILES for N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide is CCCN(C[C@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)COc1ccccc1.
What is the InChIKey of N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide?
The InChIKey is AGHSSPMQVMDCEC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-13-24(22(25)16-27-19-7-5-4-6-8-19)15-20-14-21(23-28-20)17-9-11-18(26-2)12-10-17/h4-12,20H,3,13-16H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide?
N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide has a molecular weight of 382.46 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide is sourced from PubChem (CID 7264819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).