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

C17H18ClFN4O2 — CID 19489486

IUPAC3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c(CN(C)C(=O)C2CC(c3c(F)cccc3Cl)=NO2)cnn1C
InChIInChI=1S/C17H18ClFN4O2/c1-10-11(8-20-23(10)3)9-22(2)17(24)15-7-14(21-25-15)16-12(18)5-4-6-13(16)19/h4-6,8,15H,7,9H2,1-3H3
InChIKeyMJZHVTGOZXCIOI-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.67
Rot. Bonds4

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

3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19489486) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19489486
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c(CN(C)C(=O)C2CC(c3c(F)cccc3Cl)=NO2)cnn1C
InChIInChI=1S/C17H18ClFN4O2/c1-10-11(8-20-23(10)3)9-22(2)17(24)15-7-14(21-25-15)16-12(18)5-4-6-13(16)19/h4-6,8,15H,7,9H2,1-3H3
InChIKeyMJZHVTGOZXCIOI-UHFFFAOYSA-N
XLogP2.67
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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)-N-(2,5-dimethylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491366
[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
(5S)-3-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7259831
3-(2-chloro-6-fluorophenyl)-N-prop-2-enyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158048
3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493475
(5S)-3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093576
N-[2-carbamoyl-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridin-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491311

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19489486) is 3-(2-chloro-6-fluorophenyl)-N-[(1,5-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-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1c(CN(C)C(=O)C2CC(c3c(F)cccc3Cl)=NO2)cnn1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MJZHVTGOZXCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c1-10-11(8-20-23(10)3)9-22(2)17(24)15-7-14(21-25-15)16-12(18)5-4-6-13(16)19/h4-6,8,15H,7,9H2,1-3H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.81 g/mol, XLogP of 2.67, 4 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-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19489486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).