N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide

C24H21FN2O3 — CID 53089639

IUPACN-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C24H21FN2O3/c1-2-29-21-10-6-4-8-18(21)15-26-24(28)17-11-12-20-22(13-17)30-23(27-20)14-16-7-3-5-9-19(16)25/h3-13H,2,14-15H2,1H3,(H,26,28)
InChIKeyCHNXVHYXTLOTNT-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.89
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide

N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 53089639) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID53089639
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C24H21FN2O3/c1-2-29-21-10-6-4-8-18(21)15-26-24(28)17-11-12-20-22(13-17)30-23(27-20)14-16-7-3-5-9-19(16)25/h3-13H,2,14-15H2,1H3,(H,26,28)
InChIKeyCHNXVHYXTLOTNT-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide 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

N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 42098394
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089373
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791182
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
ethyl 2-[(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidin-2-yl]acetate
CID 42594899

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 53089639) is N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide is CCOc1ccccc1CNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is CHNXVHYXTLOTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-2-29-21-10-6-4-8-18(21)15-26-24(28)17-11-12-20-22(13-17)30-23(27-20)14-16-7-3-5-9-19(16)25/h3-13H,2,14-15H2,1H3,(H,26,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).