N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide

C19H16N4O2 — CID 86921797

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cn4cccn4)cc3)cc2o1
InChIInChI=1S/C19H16N4O2/c1-13-21-17-8-7-16(11-18(17)25-13)22-19(24)15-5-3-14(4-6-15)12-23-10-2-9-20-23/h2-11H,12H2,1H3,(H,22,24)
InChIKeySIKPIAXQMZWHCH-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.63
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 86921797) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID86921797
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(Cn4cccn4)cc3)cc2o1
InChIInChI=1S/C19H16N4O2/c1-13-21-17-8-7-16(11-18(17)25-13)22-19(24)15-5-3-14(4-6-15)12-23-10-2-9-20-23/h2-11H,12H2,1H3,(H,22,24)
InChIKeySIKPIAXQMZWHCH-UHFFFAOYSA-N
XLogP3.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 170124282
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 39170149
4-(pyrazol-1-ylmethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599697
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112523584
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide (CID 86921797) is N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide is Cc1nc2ccc(NC(=O)c3ccc(Cn4cccn4)cc3)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is SIKPIAXQMZWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-21-17-8-7-16(11-18(17)25-13)22-19(24)15-5-3-14(4-6-15)12-23-10-2-9-20-23/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86921797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).