N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide

C25H26N4O2 — CID 71837333

IUPACN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)cc4C)c(C)o3)cc2)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-15-6-11-22(16(2)12-15)24(30)26-21-9-7-20(8-10-21)25-27-23(19(5)31-25)14-29-18(4)13-17(3)28-29/h6-13H,14H2,1-5H3,(H,26,30)
InChIKeyVRZNUSQIVBVUEE-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.38
Rot. Bonds5

About N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide

N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide (PubChem CID 71837333) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide
PubChem CID71837333
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)cc4C)c(C)o3)cc2)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-15-6-11-22(16(2)12-15)24(30)26-21-9-7-20(8-10-21)25-27-23(19(5)31-25)14-29-18(4)13-17(3)28-29/h6-13H,14H2,1-5H3,(H,26,30)
InChIKeyVRZNUSQIVBVUEE-UHFFFAOYSA-N
XLogP5.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
CID 71837337
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide
CID 71837315
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
CID 71837338
3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837326
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 71837307
2,5-dimethyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837412
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837292
3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837380
2-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837458

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide (CID 71837333) is N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)cc4C)c(C)o3)cc2)c(C)c1.
What is the InChIKey of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide?
The InChIKey is VRZNUSQIVBVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15-6-11-22(16(2)12-15)24(30)26-21-9-7-20(8-10-21)25-27-23(19(5)31-25)14-29-18(4)13-17(3)28-29/h6-13H,14H2,1-5H3,(H,26,30).
What are the key properties of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide?
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 71837333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).