N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide

C24H30N2O3 — CID 42790209

IUPACN-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC1CC(c2ccc(OC)cc2)=NO1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C24H30N2O3/c1-4-15-26(24(27)22(5-2)18-9-7-6-8-10-18)17-21-16-23(25-29-21)19-11-13-20(28-3)14-12-19/h6-14,21-22H,4-5,15-17H2,1-3H3
InChIKeyNLBFEDOVEXTLPD-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.62
Rot. Bonds9

About N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide

N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide (PubChem CID 42790209) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide
PubChem CID42790209
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC NameN-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC1CC(c2ccc(OC)cc2)=NO1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C24H30N2O3/c1-4-15-26(24(27)22(5-2)18-9-7-6-8-10-18)17-21-16-23(25-29-21)19-11-13-20(28-3)14-12-19/h6-14,21-22H,4-5,15-17H2,1-3H3
InChIKeyNLBFEDOVEXTLPD-UHFFFAOYSA-N
XLogP4.62
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxy-N-propylacetamide
CID 7264819
N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide
CID 42790003
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
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide
CID 42815804
2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylbenzamide
CID 42790305
N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
CID 5077825
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
N-[(3-chlorophenyl)methyl]-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methylbutanamide
CID 93143714
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
CID 42669706

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide (CID 42790209) is N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide is CCCN(CC1CC(c2ccc(OC)cc2)=NO1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide?
The InChIKey is NLBFEDOVEXTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-15-26(24(27)22(5-2)18-9-7-6-8-10-18)17-21-16-23(25-29-21)19-11-13-20(28-3)14-12-19/h6-14,21-22H,4-5,15-17H2,1-3H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide?
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide has a molecular weight of 394.51 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 42790209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).