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

C25H27N5O2 — CID 71837326

IUPAC3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4cccc(N(C)C)c4)cc3)oc2C)n1
InChIInChI=1S/C25H27N5O2/c1-16-13-17(2)30(28-16)15-23-18(3)32-25(27-23)19-9-11-21(12-10-19)26-24(31)20-7-6-8-22(14-20)29(4)5/h6-14H,15H2,1-5H3,(H,26,31)
InChIKeyLXAUOGQHOQARAE-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.83
Rot. Bonds6

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

3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837326) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID71837326
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4cccc(N(C)C)c4)cc3)oc2C)n1
InChIInChI=1S/C25H27N5O2/c1-16-13-17(2)30(28-16)15-23-18(3)32-25(27-23)19-9-11-21(12-10-19)26-24(31)20-7-6-8-22(14-20)29(4)5/h6-14H,15H2,1-5H3,(H,26,31)
InChIKeyLXAUOGQHOQARAE-UHFFFAOYSA-N
XLogP4.83
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-5-methylthiophene-2-carboxamide
CID 71837338
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]-2,4-dimethylbenzamide
CID 71837333
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 71837307
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837372
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837442
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837326) is 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide is Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4cccc(N(C)C)c4)cc3)oc2C)n1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is LXAUOGQHOQARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-13-17(2)30(28-16)15-23-18(3)32-25(27-23)19-9-11-21(12-10-19)26-24(31)20-7-6-8-22(14-20)29(4)5/h6-14H,15H2,1-5H3,(H,26,31).
What are the key properties of 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).