4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

C23H25FN2O3 — CID 19445345

IUPAC4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)c2ccc(C(C)C)cc2)c1COc1ccc(F)cc1
InChIInChI=1S/C23H25FN2O3/c1-14(2)17-5-7-18(8-6-17)15(3)25-23(27)22-21(16(4)29-26-22)13-28-20-11-9-19(24)10-12-20/h5-12,14-15H,13H2,1-4H3,(H,25,27)
InChIKeyNTYATAFMANNADX-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.32
Rot. Bonds7

About 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 19445345) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID19445345
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)c2ccc(C(C)C)cc2)c1COc1ccc(F)cc1
InChIInChI=1S/C23H25FN2O3/c1-14(2)17-5-7-18(8-6-17)15(3)25-23(27)22-21(16(4)29-26-22)13-28-20-11-9-19(24)10-12-20/h5-12,14-15H,13H2,1-4H3,(H,25,27)
InChIKeyNTYATAFMANNADX-UHFFFAOYSA-N
XLogP5.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486112
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 30479639
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443024
4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19486087

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 19445345) is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC(C)c2ccc(C(C)C)cc2)c1COc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NTYATAFMANNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-14(2)17-5-7-18(8-6-17)15(3)25-23(27)22-21(16(4)29-26-22)13-28-20-11-9-19(24)10-12-20/h5-12,14-15H,13H2,1-4H3,(H,25,27).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).