3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H22ClFN4O2 — CID 19489574

IUPAC3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1C
InChIInChI=1S/C19H22ClFN4O2/c1-5-25-12(3)13(11(2)22-25)10-24(4)19(26)17-9-16(23-27-17)18-14(20)7-6-8-15(18)21/h6-8,17H,5,9-10H2,1-4H3
InChIKeyORVRMELTGCXAAR-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.46
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19489574) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19489574
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1C
InChIInChI=1S/C19H22ClFN4O2/c1-5-25-12(3)13(11(2)22-25)10-24(4)19(26)17-9-16(23-27-17)18-14(20)7-6-8-15(18)21/h6-8,17H,5,9-10H2,1-4H3
InChIKeyORVRMELTGCXAAR-UHFFFAOYSA-N
XLogP3.46
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491767
3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489486
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491290
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493836
3-(2-chloro-6-fluorophenyl)-N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491363
ethyl 4-[(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 51853763
[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 19491329
(5R)-3-(2-chloro-6-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093600
1-[(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 1093598
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491366
(5S)-3-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7259831
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491280

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19489574) is 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1nc(C)c(CN(C)C(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ORVRMELTGCXAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-5-25-12(3)13(11(2)22-25)10-24(4)19(26)17-9-16(23-27-17)18-14(20)7-6-8-15(18)21/h6-8,17H,5,9-10H2,1-4H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19489574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).