4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide

C25H30N2O5 — CID 55799586

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
SMILESCOc1cc(C(=O)NCCCCOc2ccc(C)cc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C25H30N2O5/c1-17-7-10-21(11-8-17)30-14-6-5-13-26-25(28)20-9-12-23(24(15-20)29-4)31-16-22-18(2)27-32-19(22)3/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,28)
InChIKeyWIDYWYDBAUIHTB-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.78
Rot. Bonds11

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide (PubChem CID 55799586) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
PubChem CID55799586
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
SMILESCOc1cc(C(=O)NCCCCOc2ccc(C)cc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C25H30N2O5/c1-17-7-10-21(11-8-17)30-14-6-5-13-26-25(28)20-9-12-23(24(15-20)29-4)31-16-22-18(2)27-32-19(22)3/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,28)
InChIKeyWIDYWYDBAUIHTB-UHFFFAOYSA-N
XLogP4.78
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 27681684
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46433797
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide (CID 55799586) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide is COc1cc(C(=O)NCCCCOc2ccc(C)cc2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide?
The InChIKey is WIDYWYDBAUIHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-17-7-10-21(11-8-17)30-14-6-5-13-26-25(28)20-9-12-23(24(15-20)29-4)31-16-22-18(2)27-32-19(22)3/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide has a molecular weight of 438.52 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide is sourced from PubChem (CID 55799586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).