N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide

C21H24N4O2 — CID 122568132

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(-c2ccc(C(C)C)nn2)cc1
InChIInChI=1S/C21H24N4O2/c1-13(2)19-10-11-20(23-22-19)16-6-8-17(9-7-16)21(26)25(5)12-18-14(3)24-27-15(18)4/h6-11,13H,12H2,1-5H3
InChIKeyFMFPNOZDCOKDNB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.14
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide (PubChem CID 122568132) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
PubChem CID122568132
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(-c2ccc(C(C)C)nn2)cc1
InChIInChI=1S/C21H24N4O2/c1-13(2)19-10-11-20(23-22-19)16-6-8-17(9-7-16)21(26)25(5)12-18-14(3)24-27-15(18)4/h6-11,13H,12H2,1-5H3
InChIKeyFMFPNOZDCOKDNB-UHFFFAOYSA-N
XLogP4.14
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
CID 122559379
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55641872
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate
CID 122570443
6-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 48675917
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076063
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
3-bromo-5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103826474
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
2-tert-butylsulfanyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 75499116

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide (CID 122568132) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(-c2ccc(C(C)C)nn2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
The InChIKey is FMFPNOZDCOKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)19-10-11-20(23-22-19)16-6-8-17(9-7-16)21(26)25(5)12-18-14(3)24-27-15(18)4/h6-11,13H,12H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 122568132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).