4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide

C22H28N4O4 — CID 47080376

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCCCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C22H28N4O4/c1-14(2)12-20-24-21(30-26-20)6-5-11-23-22(27)17-7-9-18(10-8-17)28-13-19-15(3)25-29-16(19)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,23,27)
InChIKeyBKEMEBKUHKPWHT-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.81
Rot. Bonds10

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide (PubChem CID 47080376) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
PubChem CID47080376
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCCCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C22H28N4O4/c1-14(2)12-20-24-21(30-26-20)6-5-11-23-22(27)17-7-9-18(10-8-17)28-13-19-15(3)25-29-16(19)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,23,27)
InChIKeyBKEMEBKUHKPWHT-UHFFFAOYSA-N
XLogP3.81
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide (CID 47080376) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCCCc2nc(CC(C)C)no2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide?
The InChIKey is BKEMEBKUHKPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-14(2)12-20-24-21(30-26-20)6-5-11-23-22(27)17-7-9-18(10-8-17)28-13-19-15(3)25-29-16(19)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,23,27).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide is sourced from PubChem (CID 47080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).