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

C20H18N4O2 — CID 70717506

IUPACN-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4o3)cc2)n1
InChIInChI=1S/C20H18N4O2/c1-13-11-14(2)24(23-13)16-9-7-15(8-10-16)20(25)21-12-19-22-17-5-3-4-6-18(17)26-19/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyHRSKTWDFQCCBBA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.56
Rot. Bonds4

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

N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 70717506) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID70717506
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4o3)cc2)n1
InChIInChI=1S/C20H18N4O2/c1-13-11-14(2)24(23-13)16-9-7-15(8-10-16)20(25)21-12-19-22-17-5-3-4-6-18(17)26-19/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyHRSKTWDFQCCBBA-UHFFFAOYSA-N
XLogP3.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 35991337
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 136561565
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 70717506) is N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4o3)cc2)n1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is HRSKTWDFQCCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-11-14(2)24(23-13)16-9-7-15(8-10-16)20(25)21-12-19-22-17-5-3-4-6-18(17)26-19/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 70717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).