methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate

C20H22N4O4 — CID 122570443

IUPACmethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1-c1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C20H22N4O4/c1-12-16(13(2)28-22-12)10-23(3)19(25)15-8-6-14(7-9-15)17-11-24(4)21-18(17)20(26)27-5/h6-9,11H,10H2,1-5H3
InChIKeyNPGWJVLWDOFGFF-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.75
Rot. Bonds5

About methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate

methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate (PubChem CID 122570443) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate
PubChem CID122570443
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namemethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1-c1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C20H22N4O4/c1-12-16(13(2)28-22-12)10-23(3)19(25)15-8-6-14(7-9-15)17-11-24(4)21-18(17)20(26)27-5/h6-9,11H,10H2,1-5H3
InChIKeyNPGWJVLWDOFGFF-UHFFFAOYSA-N
XLogP2.75
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate with MolForge

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Related Compounds

methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55641872
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
CID 122568132
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
CID 122557349
6-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 48675917
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 55621572
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 55621573
methyl 4-[4-(3-imidazol-1-ylpropylcarbamoyl)phenyl]-1-methylpyrazole-3-carboxylate
CID 122572817
4-(2-hydroxy-5-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 122567311
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate (CID 122570443) is methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1-c1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1.
What is the InChIKey of methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate?
The InChIKey is NPGWJVLWDOFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-16(13(2)28-22-12)10-23(3)19(25)15-8-6-14(7-9-15)17-11-24(4)21-18(17)20(26)27-5/h6-9,11H,10H2,1-5H3.
What are the key properties of methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate?
methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 122570443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).