2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide

C32H44N2O5 — CID 10075862

IUPAC2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1cc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)on1
InChIInChI=1S/C32H44N2O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-21-27(39-34-25)30(24-18-15-14-16-19-24)32(35)33-31-28(37-3)22-26(36-2)23-29(31)38-4/h14-16,18-19,21-23,30H,5-13,17,20H2,1-4H3,(H,33,35)
InChIKeyZQWUQWNDCDZTBU-UHFFFAOYSA-N
MW536.71 g/mol
LogP7.93
Rot. Bonds18

About 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide

2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 10075862) has the molecular formula C32H44N2O5 and a molecular weight of 536.71 g/mol. Its IUPAC name is 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID10075862
Molecular FormulaC32H44N2O5
Molecular Weight536.71 g/mol
Exact Mass536.33
IUPAC Name2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1cc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)on1
InChIInChI=1S/C32H44N2O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-21-27(39-34-25)30(24-18-15-14-16-19-24)32(35)33-31-28(37-3)22-26(36-2)23-29(31)38-4/h14-16,18-19,21-23,30H,5-13,17,20H2,1-4H3,(H,33,35)
InChIKeyZQWUQWNDCDZTBU-UHFFFAOYSA-N
XLogP7.93
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 57.93
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

3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
N-(2,4-Dimethoxyphenyl)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 5308940
2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 9984681
2-(3-Dodecyl-isoxazol-5-yl)-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10695292
(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]phenyl]icosa-5,8,11,14-tetraenamide
CID 132075240
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 1246987
[2-(4-Methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 5243996
5-cyclopropyl-N-(2,4-dimethoxyphenyl)-3-isoxazolecarboxamide
CID 5308816
N-(4-ethoxyphenyl)-4-[5-(4-ethoxyphenyl)isoxazol-3-yl]butanamide
CID 9551508
1-(5-dodecyl-1,2-oxazol-3-yl)-N-(2,4,6-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 10577749

Frequently Asked Questions

What is the IUPAC name of 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (CID 10075862) is 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCc1cc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)on1.
What is the InChIKey of 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is ZQWUQWNDCDZTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-21-27(39-34-25)30(24-18-15-14-16-19-24)32(35)33-31-28(37-3)22-26(36-2)23-29(31)38-4/h14-16,18-19,21-23,30H,5-13,17,20H2,1-4H3,(H,33,35).
What are the key properties of 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 536.71 g/mol, XLogP of 7.93, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 10075862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).