N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C24H22N4O4 — CID 3242723

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2
InChIInChI=1S/C24H22N4O4/c1-14-20(24(30)28(27(14)2)16-7-5-4-6-8-16)25-23(29)21-19-11-9-15-13-17(31-3)10-12-18(15)22(19)32-26-21/h4-8,10,12-13H,9,11H2,1-3H3,(H,25,29)
InChIKeyWAEKOGFNYIJJNL-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.50
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 3242723) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID3242723
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2
InChIInChI=1S/C24H22N4O4/c1-14-20(24(30)28(27(14)2)16-7-5-4-6-8-16)25-23(29)21-19-11-9-15-13-17(31-3)10-12-18(15)22(19)32-26-21/h4-8,10,12-13H,9,11H2,1-3H3,(H,25,29)
InChIKeyWAEKOGFNYIJJNL-UHFFFAOYSA-N
XLogP3.50
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 3242723) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is WAEKOGFNYIJJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-20(24(30)28(27(14)2)16-7-5-4-6-8-16)25-23(29)21-19-11-9-15-13-17(31-3)10-12-18(15)22(19)32-26-21/h4-8,10,12-13H,9,11H2,1-3H3,(H,25,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 3242723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).