1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide

C20H22F2N4O2 — CID 141367777

IUPAC1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(C(F)F)nn1Cc1cc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C20H22F2N4O2/c1-11-16(19(23)27)17(18(21)22)24-26(11)10-14-9-15(25-28-14)12-5-7-13(8-6-12)20(2,3)4/h5-9,18H,10H2,1-4H3,(H2,23,27)
InChIKeyBRZOEMKOIXSSEB-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.23
Rot. Bonds5

About 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide

1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide (PubChem CID 141367777) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide
PubChem CID141367777
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(C(F)F)nn1Cc1cc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C20H22F2N4O2/c1-11-16(19(23)27)17(18(21)22)24-26(11)10-14-9-15(25-28-14)12-5-7-13(8-6-12)20(2,3)4/h5-9,18H,10H2,1-4H3,(H2,23,27)
InChIKeyBRZOEMKOIXSSEB-UHFFFAOYSA-N
XLogP4.23
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-methyl-5-isoxazolecarboxamide
CID 9550989
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 9550990
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980474
N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24980536
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980540
N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24982195
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 24982225
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 44526206
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-2-phenylpropanamide
CID 57945007
WO2022098970, Example 2
CID 163291922
WO2022098970, Example 153
CID 163292183
WO2022098970, Example 154
CID 163292217

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide (CID 141367777) is 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(N)=O)c(C(F)F)nn1Cc1cc(-c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is BRZOEMKOIXSSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-11-16(19(23)27)17(18(21)22)24-26(11)10-14-9-15(25-28-14)12-5-7-13(8-6-12)20(2,3)4/h5-9,18H,10H2,1-4H3,(H2,23,27).
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]-3-(difluoromethyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 141367777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).