3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H25FN2O5 — CID 55797617

IUPAC3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1OC
InChIInChI=1S/C23H25FN2O5/c1-14(17-7-10-19(20(13-17)29-4)30-12-11-28-3)25-23(27)21-15(2)31-26-22(21)16-5-8-18(24)9-6-16/h5-10,13-14H,11-12H2,1-4H3,(H,25,27)
InChIKeyJROZPKZVVOLOBC-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.31
Rot. Bonds9

About 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 55797617) has the molecular formula C23H25FN2O5 and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID55797617
Molecular FormulaC23H25FN2O5
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1OC
InChIInChI=1S/C23H25FN2O5/c1-14(17-7-10-19(20(13-17)29-4)30-12-11-28-3)25-23(27)21-15(2)31-26-22(21)16-5-8-18(24)9-6-16/h5-10,13-14H,11-12H2,1-4H3,(H,25,27)
InChIKeyJROZPKZVVOLOBC-UHFFFAOYSA-N
XLogP4.31
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.31
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

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75461339
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 55748131
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
1-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 55809027
3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33127580
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 78882069
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35997682
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 55797617) is 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is COCCOc1ccc(C(C)NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JROZPKZVVOLOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5/c1-14(17-7-10-19(20(13-17)29-4)30-12-11-28-3)25-23(27)21-15(2)31-26-22(21)16-5-8-18(24)9-6-16/h5-10,13-14H,11-12H2,1-4H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55797617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).