4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide

C20H18N4O2 — CID 86921766

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4nc(C)oc4c3)cc2)n1
InChIInChI=1S/C20H18N4O2/c1-12-10-13(2)24(23-12)17-7-4-15(5-8-17)20(25)22-16-6-9-18-19(11-16)26-14(3)21-18/h4-11H,1-3H3,(H,22,25)
InChIKeyFIZYMRWWDQWFRH-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.19
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide (PubChem CID 86921766) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
PubChem CID86921766
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4nc(C)oc4c3)cc2)n1
InChIInChI=1S/C20H18N4O2/c1-12-10-13(2)24(23-12)17-7-4-15(5-8-17)20(25)22-16-6-9-18-19(11-16)26-14(3)21-18/h4-11H,1-3H3,(H,22,25)
InChIKeyFIZYMRWWDQWFRH-UHFFFAOYSA-N
XLogP4.19
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797
4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
CID 86921847

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide (CID 86921766) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4nc(C)oc4c3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is FIZYMRWWDQWFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-10-13(2)24(23-12)17-7-4-15(5-8-17)20(25)22-16-6-9-18-19(11-16)26-14(3)21-18/h4-11H,1-3H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 86921766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).