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

C24H19FN2O3 — CID 19445338

IUPAC4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1COc1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3/c1-16-22(15-29-21-13-9-19(25)10-14-21)23(27-30-16)24(28)26-20-11-7-18(8-12-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyAPTGLLLUBNMSSC-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.62
Rot. Bonds6

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

4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19445338) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID19445338
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1COc1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3/c1-16-22(15-29-21-13-9-19(25)10-14-21)23(27-30-16)24(28)26-20-11-7-18(8-12-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyAPTGLLLUBNMSSC-UHFFFAOYSA-N
XLogP5.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 19445270
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
N-(3,4-difluorophenyl)-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444531
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445278
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide (CID 19445338) is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1COc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is APTGLLLUBNMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-16-22(15-29-21-13-9-19(25)10-14-21)23(27-30-16)24(28)26-20-11-7-18(8-12-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 5.62, 6 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-(4-phenylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).