N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H20N4O4 — CID 42321882

IUPACN-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)nn1
InChIInChI=1S/C20H20N4O4/c1-11-6-13-9-14(10-21-20(25)17-8-12(2)28-24-17)27-19(13)15(7-11)16-4-5-18(26-3)23-22-16/h4-8,14H,9-10H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyYSWWSIHQEIRLFC-AWEZNQCLSA-N
MW380.40 g/mol
LogP2.49
Rot. Bonds5

About N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 42321882) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID42321882
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)nn1
InChIInChI=1S/C20H20N4O4/c1-11-6-13-9-14(10-21-20(25)17-8-12(2)28-24-17)27-19(13)15(7-11)16-4-5-18(26-3)23-22-16/h4-8,14H,9-10H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyYSWWSIHQEIRLFC-AWEZNQCLSA-N
XLogP2.49
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42370379
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2S)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42168889
2-(3-chlorophenyl)-N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 45176718
N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45180127
(E)-3-(2-chlorophenyl)-N-[[(2S)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 26275004
N-[[(2R)-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 42341452
2,2-dimethyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42319769
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 56854792
N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 45166687
4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
CID 45230098
N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 45214602
methyl 6-[2-[[(5-ethyl-1,2-oxazole-3-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate
CID 45166551

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 42321882) is N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)nn1.
What is the InChIKey of N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YSWWSIHQEIRLFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11-6-13-9-14(10-21-20(25)17-8-12(2)28-24-17)27-19(13)15(7-11)16-4-5-18(26-3)23-22-16/h4-8,14H,9-10H2,1-3H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42321882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).