N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide

C23H26N2O5 — CID 3243514

IUPACN-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1
InChIInChI=1S/C23H26N2O5/c1-4-29-18-10-8-16(9-11-18)22-14-17(25-30-22)6-5-7-23(26)24-20-15-19(27-2)12-13-21(20)28-3/h8-15H,4-7H2,1-3H3,(H,24,26)
InChIKeyQKBMJXWTFKVSCO-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.72
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide

N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide (PubChem CID 3243514) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
PubChem CID3243514
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1
InChIInChI=1S/C23H26N2O5/c1-4-29-18-10-8-16(9-11-18)22-14-17(25-30-22)6-5-7-23(26)24-20-15-19(27-2)12-13-21(20)28-3/h8-15H,4-7H2,1-3H3,(H,24,26)
InChIKeyQKBMJXWTFKVSCO-UHFFFAOYSA-N
XLogP4.72
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide (CID 3243514) is N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide is CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide?
The InChIKey is QKBMJXWTFKVSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-4-29-18-10-8-16(9-11-18)22-14-17(25-30-22)6-5-7-23(26)24-20-15-19(27-2)12-13-21(20)28-3/h8-15H,4-7H2,1-3H3,(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide?
N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide has a molecular weight of 410.47 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide is sourced from PubChem (CID 3243514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).