N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide

C33H29FN2O4 — CID 142703431

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(-c5ccccc5)c(C)c4C)on3)cc2F)c(OC)c1
InChIInChI=1S/C33H29FN2O4/c1-20-21(2)27(15-14-26(20)22-8-6-5-7-9-22)32-18-30(36-40-32)23-11-13-28(29(34)16-23)33(37)35-19-24-10-12-25(38-3)17-31(24)39-4/h5-18H,19H2,1-4H3,(H,35,37)
InChIKeyNEDGYZSXJNQYCA-UHFFFAOYSA-N
MW536.60 g/mol
LogP7.38
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide

N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide (PubChem CID 142703431) has the molecular formula C33H29FN2O4 and a molecular weight of 536.60 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
PubChem CID142703431
Molecular FormulaC33H29FN2O4
Molecular Weight536.60 g/mol
Exact Mass536.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(-c5ccccc5)c(C)c4C)on3)cc2F)c(OC)c1
InChIInChI=1S/C33H29FN2O4/c1-20-21(2)27(15-14-26(20)22-8-6-5-7-9-22)32-18-30(36-40-32)23-11-13-28(29(34)16-23)33(37)35-19-24-10-12-25(38-3)17-31(24)39-4/h5-18H,19H2,1-4H3,(H,35,37)
InChIKeyNEDGYZSXJNQYCA-UHFFFAOYSA-N
XLogP7.38
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
CID 142703451
2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
CID 142703568
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867492
4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703448
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
CID 141373361
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
3-(2-chloro-6-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46590142
4-[5-[2,6-difluoro-3-(methoxymethyl)-4-phenylphenyl]-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703530
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide (CID 142703431) is N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide is COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(-c5ccccc5)c(C)c4C)on3)cc2F)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide?
The InChIKey is NEDGYZSXJNQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN2O4/c1-20-21(2)27(15-14-26(20)22-8-6-5-7-9-22)32-18-30(36-40-32)23-11-13-28(29(34)16-23)33(37)35-19-24-10-12-25(38-3)17-31(24)39-4/h5-18H,19H2,1-4H3,(H,35,37).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide has a molecular weight of 536.60 g/mol, XLogP of 7.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 142703431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).