4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

C25H30N6O3 — CID 29097096

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2c(C)nn(Cc3c(C)nn(C)c3C)c2C)cc1
InChIInChI=1S/C25H30N6O3/c1-14-22(17(4)30(7)27-14)12-31-18(5)24(16(3)28-31)26-25(32)20-8-10-21(11-9-20)33-13-23-15(2)29-34-19(23)6/h8-11H,12-13H2,1-7H3,(H,26,32)
InChIKeyMQDINOBZDGXODK-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.33
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 29097096) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
PubChem CID29097096
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2c(C)nn(Cc3c(C)nn(C)c3C)c2C)cc1
InChIInChI=1S/C25H30N6O3/c1-14-22(17(4)30(7)27-14)12-31-18(5)24(16(3)28-31)26-25(32)20-8-10-21(11-9-20)33-13-23-15(2)29-34-19(23)6/h8-11H,12-13H2,1-7H3,(H,26,32)
InChIKeyMQDINOBZDGXODK-UHFFFAOYSA-N
XLogP4.33
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 29097450
4-[(2,6-dimethylphenoxy)methyl]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486289
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 17026424
4-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443567
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
5-methyl-4-[(4-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488545
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
4-[(4-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19337759
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide
CID 142437020
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 29097096) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2c(C)nn(Cc3c(C)nn(C)c3C)c2C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is MQDINOBZDGXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-14-22(17(4)30(7)27-14)12-31-18(5)24(16(3)28-31)26-25(32)20-8-10-21(11-9-20)33-13-23-15(2)29-34-19(23)6/h8-11H,12-13H2,1-7H3,(H,26,32).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 29097096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).