N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C21H21FN2O4 — CID 50805827

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2c(-c3cccc(F)c3)noc2C)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-4-27-17-9-8-14(10-18(17)26-3)12-23-21(25)19-13(2)28-24-20(19)15-6-5-7-16(22)11-15/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyMGCSYSUZXBWRPY-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.13
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805827) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805827
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2c(-c3cccc(F)c3)noc2C)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-4-27-17-9-8-14(10-18(17)26-3)12-23-21(25)19-13(2)28-24-20(19)15-6-5-7-16(22)11-15/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyMGCSYSUZXBWRPY-UHFFFAOYSA-N
XLogP4.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-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

3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 143074953
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52700850
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75402959
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 53080400
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 119138717
N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805433
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111680905

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805827) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCOc1ccc(CNC(=O)c2c(-c3cccc(F)c3)noc2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MGCSYSUZXBWRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-4-27-17-9-8-14(10-18(17)26-3)12-23-21(25)19-13(2)28-24-20(19)15-6-5-7-16(22)11-15/h5-11H,4,12H2,1-3H3,(H,23,25).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).