N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide

C23H26N2O3 — CID 51070384

IUPACN-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)C(C)C)c1
InChIInChI=1S/C23H26N2O3/c1-15(2)25(23(26)18-7-6-8-20(12-18)27-5)14-19-13-22(28-24-19)21-10-9-16(3)11-17(21)4/h6-13,15H,14H2,1-5H3
InChIKeyOQGBTUFKDIPVNX-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.02
Rot. Bonds6

About N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide

N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide (PubChem CID 51070384) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
PubChem CID51070384
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)C(C)C)c1
InChIInChI=1S/C23H26N2O3/c1-15(2)25(23(26)18-7-6-8-20(12-18)27-5)14-19-13-22(28-24-19)21-10-9-16(3)11-17(21)4/h6-13,15H,14H2,1-5H3
InChIKeyOQGBTUFKDIPVNX-UHFFFAOYSA-N
XLogP5.02
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide (CID 51070384) is N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide is COc1cccc(C(=O)N(Cc2cc(-c3ccc(C)cc3C)on2)C(C)C)c1.
What is the InChIKey of N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The InChIKey is OQGBTUFKDIPVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(2)25(23(26)18-7-6-8-20(12-18)27-5)14-19-13-22(28-24-19)21-10-9-16(3)11-17(21)4/h6-13,15H,14H2,1-5H3.
What are the key properties of N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 51070384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).