3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide

C25H24N2O4 — CID 17127524

IUPAC3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1
InChIInChI=1S/C25H24N2O4/c1-15(2)16-5-7-17(8-6-16)25-27-22-13-19(9-10-23(22)31-25)26-24(28)18-11-20(29-3)14-21(12-18)30-4/h5-15H,1-4H3,(H,26,28)
InChIKeyWZJHMXZRWASFNO-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.89
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide

3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 17127524) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID17127524
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1
InChIInChI=1S/C25H24N2O4/c1-15(2)16-5-7-17(8-6-16)25-27-22-13-19(9-10-23(22)31-25)26-24(28)18-11-20(29-3)14-21(12-18)30-4/h5-15H,1-4H3,(H,26,28)
InChIKeyWZJHMXZRWASFNO-UHFFFAOYSA-N
XLogP5.89
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
3-[(2S)-butan-2-yl]oxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 40864969
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 17127524) is 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is WZJHMXZRWASFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-15(2)16-5-7-17(8-6-16)25-27-22-13-19(9-10-23(22)31-25)26-24(28)18-11-20(29-3)14-21(12-18)30-4/h5-15H,1-4H3,(H,26,28).
What are the key properties of 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 17127524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).