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

C24H28N2O5 — CID 3242371

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide
SMILESCOc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1
InChIInChI=1S/C24H28N2O5/c1-28-20-10-7-17(8-11-20)23-15-19(26-31-23)5-4-6-24(27)25-14-13-18-9-12-21(29-2)16-22(18)30-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,27)
InChIKeyDSWJFBKNAGDULT-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.05
Rot. Bonds11

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

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide (PubChem CID 3242371) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide
PubChem CID3242371
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide
SMILESCOc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1
InChIInChI=1S/C24H28N2O5/c1-28-20-10-7-17(8-11-20)23-15-19(26-31-23)5-4-6-24(27)25-14-13-18-9-12-21(29-2)16-22(18)30-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,27)
InChIKeyDSWJFBKNAGDULT-UHFFFAOYSA-N
XLogP4.05
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide (CID 3242371) is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide is COc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide?
The InChIKey is DSWJFBKNAGDULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-28-20-10-7-17(8-11-20)23-15-19(26-31-23)5-4-6-24(27)25-14-13-18-9-12-21(29-2)16-22(18)30-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide has a molecular weight of 424.50 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanamide is sourced from PubChem (CID 3242371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).