N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide

C23H19ClFN3O2 — CID 42815978

IUPACN-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C23H19ClFN3O2/c24-19-7-1-4-16(10-19)14-28(23(29)17-5-2-8-20(25)11-17)15-21-12-22(27-30-21)18-6-3-9-26-13-18/h1-11,13,21H,12,14-15H2
InChIKeyGBKOJFHLBIWNAF-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.71
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide

N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 42815978) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID42815978
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC NameN-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C23H19ClFN3O2/c24-19-7-1-4-16(10-19)14-28(23(29)17-5-2-8-20(25)11-17)15-21-12-22(27-30-21)18-6-3-9-26-13-18/h1-11,13,21H,12,14-15H2
InChIKeyGBKOJFHLBIWNAF-UHFFFAOYSA-N
XLogP4.71
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 97473530
3-fluoro-N-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 93128506
N-[[(5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 93307709
N-[(3-chlorophenyl)methyl]-N-[[(5S)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluorobenzamide
CID 93307595
N-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 93307744
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methylpropanamide
CID 46137717
N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
CID 42815922
4-fluoro-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 93115807
2-fluoro-N-[[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 93307617
N-[(3-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 42815757
N-[(3-chlorophenyl)methyl]-N-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 93128491
N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide
CID 93307689

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (CID 42815978) is N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is O=C(c1cccc(F)c1)N(Cc1cccc(Cl)c1)CC1CC(c2cccnc2)=NO1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is GBKOJFHLBIWNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c24-19-7-1-4-16(10-19)14-28(23(29)17-5-2-8-20(25)11-17)15-21-12-22(27-30-21)18-6-3-9-26-13-18/h1-11,13,21H,12,14-15H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 423.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 42815978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).