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

C22H23FN2O2 — CID 46137877

IUPACN-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccccc1)CC1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C22H23FN2O2/c23-19-11-5-10-18(12-19)21-13-20(27-24-21)15-25(22(26)17-8-4-9-17)14-16-6-2-1-3-7-16/h1-3,5-7,10-12,17,20H,4,8-9,13-15H2
InChIKeyHPTLYBLDYCUHQR-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.15
Rot. Bonds6

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

N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide (PubChem CID 46137877) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
PubChem CID46137877
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccccc1)CC1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C22H23FN2O2/c23-19-11-5-10-18(12-19)21-13-20(27-24-21)15-25(22(26)17-8-4-9-17)14-16-6-2-1-3-7-16/h1-3,5-7,10-12,17,20H,4,8-9,13-15H2
InChIKeyHPTLYBLDYCUHQR-UHFFFAOYSA-N
XLogP4.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 42790227
N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
CID 42815922
N-[[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-benzylcyclopentanecarboxamide
CID 42790060
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-propylcyclopropanecarboxamide
CID 42815958
N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
CID 24718387
N-[[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutanecarboxamide
CID 94013716
N-[[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutanecarboxamide
CID 42815883
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 42815952
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
CID 42790194
1-[(2-chlorophenyl)methyl]-3-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816142
N-[[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93307731

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide (CID 46137877) is N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccccc1)CC1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The InChIKey is HPTLYBLDYCUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-11-5-10-18(12-19)21-13-20(27-24-21)15-25(22(26)17-8-4-9-17)14-16-6-2-1-3-7-16/h1-3,5-7,10-12,17,20H,4,8-9,13-15H2.
What are the key properties of N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 46137877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).