N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C22H18N4O2 — CID 5309067

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-14-13-19(26(24-14)16-8-3-2-4-9-16)23-22(27)20-18-12-11-15-7-5-6-10-17(15)21(18)28-25-20/h2-10,13H,11-12H2,1H3,(H,23,27)
InChIKeyAJYOXFZCVXIKFG-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.19
Rot. Bonds3

About N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 5309067) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID5309067
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-14-13-19(26(24-14)16-8-3-2-4-9-16)23-22(27)20-18-12-11-15-7-5-6-10-17(15)21(18)28-25-20/h2-10,13H,11-12H2,1H3,(H,23,27)
InChIKeyAJYOXFZCVXIKFG-UHFFFAOYSA-N
XLogP4.19
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 5309067) is N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is AJYOXFZCVXIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-13-19(26(24-14)16-8-3-2-4-9-16)23-22(27)20-18-12-11-15-7-5-6-10-17(15)21(18)28-25-20/h2-10,13H,11-12H2,1H3,(H,23,27).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 370.41 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 N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 5309067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).