N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide

C25H23FN2O2 — CID 7282967

IUPACN-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)cc1
InChIInChI=1S/C25H23FN2O2/c1-18-11-13-20(14-12-18)25(29)28(16-19-7-3-2-4-8-19)17-21-15-24(27-30-21)22-9-5-6-10-23(22)26/h2-14,21H,15-17H2,1H3/t21-/m0/s1
InChIKeyUQFQVGGBXLXZLK-NRFANRHFSA-N
MW402.47 g/mol
LogP4.97
Rot. Bonds6

About N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide

N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide (PubChem CID 7282967) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide
PubChem CID7282967
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC NameN-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)cc1
InChIInChI=1S/C25H23FN2O2/c1-18-11-13-20(14-12-18)25(29)28(16-19-7-3-2-4-8-19)17-21-15-24(27-30-21)22-9-5-6-10-23(22)26/h2-14,21H,15-17H2,1H3/t21-/m0/s1
InChIKeyUQFQVGGBXLXZLK-NRFANRHFSA-N
XLogP4.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methyl-N-prop-2-enylbenzamide
CID 42793709
N-benzyl-N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 42790217
N-benzyl-4-fluoro-N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42789979
N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxyacetamide
CID 7231245
ethyl 4-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-4-oxobutanoate
CID 42790221
N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 42793728
3-tert-butyl-1-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]urea
CID 7238596
1-benzyl-3-ethyl-1-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816149
N-[(3-chlorophenyl)methyl]-N-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 93128491
N-benzyl-N-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methoxybenzamide
CID 4176910
N-benzyl-N-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
CID 46137735
1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46014288

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide (CID 7282967) is N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)cc1.
What is the InChIKey of N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide?
The InChIKey is UQFQVGGBXLXZLK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-18-11-13-20(14-12-18)25(29)28(16-19-7-3-2-4-8-19)17-21-15-24(27-30-21)22-9-5-6-10-23(22)26/h2-14,21H,15-17H2,1H3/t21-/m0/s1.
What are the key properties of N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide?
N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 7282967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).