N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide

C21H20N4O2 — CID 166068140

IUPACN-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide
SMILESCc1ccc(-n2ncc(C3=NCCO3)c2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-6-8-17(9-7-14)25-19(18(13-23-25)21-22-10-11-27-21)24-20(26)16-5-3-4-15(2)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)
InChIKeyNUZYEELQARNJBH-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.52
Rot. Bonds4

About N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide

N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide (PubChem CID 166068140) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide
PubChem CID166068140
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide
SMILESCc1ccc(-n2ncc(C3=NCCO3)c2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-6-8-17(9-7-14)25-19(18(13-23-25)21-22-10-11-27-21)24-20(26)16-5-3-4-15(2)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)
InChIKeyNUZYEELQARNJBH-UHFFFAOYSA-N
XLogP3.52
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
3-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5066283
3-methyl-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883629
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
CID 4591992
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
CID 3373388
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
CID 173139178
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
3-methyl-N-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92893088
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide (CID 166068140) is N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide is Cc1ccc(-n2ncc(C3=NCCO3)c2NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide?
The InChIKey is NUZYEELQARNJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-6-8-17(9-7-14)25-19(18(13-23-25)21-22-10-11-27-21)24-20(26)16-5-3-4-15(2)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide?
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide has a molecular weight of 360.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 166068140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).