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

C18H16ClFN2O2 — CID 42669734

IUPACN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
SMILESCN(CC1CC(c2ccc(Cl)cc2)=NO1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16ClFN2O2/c1-22(18(23)13-3-2-4-15(20)9-13)11-16-10-17(21-24-16)12-5-7-14(19)8-6-12/h2-9,16H,10-11H2,1H3
InChIKeyNLUVCGHRQSGAOH-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.74
Rot. Bonds4

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

N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide (PubChem CID 42669734) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
PubChem CID42669734
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
SMILESCN(CC1CC(c2ccc(Cl)cc2)=NO1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16ClFN2O2/c1-22(18(23)13-3-2-4-15(20)9-13)11-16-10-17(21-24-16)12-5-7-14(19)8-6-12/h2-9,16H,10-11H2,1H3
InChIKeyNLUVCGHRQSGAOH-UHFFFAOYSA-N
XLogP3.74
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-(methoxyimino)ethyl]-4-fluorobenzenecarboxamide
CID 6066773
1-benzoyl-4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide
CID 24856188
(4-Chlorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803050
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2815876
2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 24715344
N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 46137884
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83289713
N-(1-benzoylpiperidin-4-yl)-3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56365867
Sdccgsbi-0662840.P001
CID 134787985
(4-Chlorophenyl)-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 134789888
N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
CID 4314829

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide (CID 42669734) is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide is CN(CC1CC(c2ccc(Cl)cc2)=NO1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide?
The InChIKey is NLUVCGHRQSGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-22(18(23)13-3-2-4-15(20)9-13)11-16-10-17(21-24-16)12-5-7-14(19)8-6-12/h2-9,16H,10-11H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide?
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide has a molecular weight of 346.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 42669734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).