2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid

C22H28N4O5S — CID 162340095

IUPAC2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cnc1N
InChIInChI=1S/C21H24N4O2.CH4O3S/c1-13-9-16(12-23-20(13)22)15-7-5-14(6-8-15)10-19(26)24-18-11-17(27-25-18)21(2,3)4;1-5(2,3)4/h5-9,11-12H,10H2,1-4H3,(H2,22,23)(H,24,25,26);1H3,(H,2,3,4)
InChIKeyHZNUSHJIVSIBCJ-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid

2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid (PubChem CID 162340095) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid.

Molecular Properties

Compound Name2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
PubChem CID162340095
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cnc1N
InChIInChI=1S/C21H24N4O2.CH4O3S/c1-13-9-16(12-23-20(13)22)15-7-5-14(6-8-15)10-19(26)24-18-11-17(27-25-18)21(2,3)4;1-5(2,3)4/h5-9,11-12H,10H2,1-4H3,(H2,22,23)(H,24,25,26);1H3,(H,2,3,4)
InChIKeyHZNUSHJIVSIBCJ-UHFFFAOYSA-N
XLogP3.61
TPSA148.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
CID 51030541
2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 177160357
2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 88541866
[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate
CID 87218581
2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967674
2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66968381
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967989
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 66967919
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid?
The IUPAC name of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid (CID 162340095) is 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid.
What is the SMILES notation for 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid?
The canonical SMILES for 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid is CS(=O)(=O)O.Cc1cc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cnc1N.
What is the InChIKey of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid?
The InChIKey is HZNUSHJIVSIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.CH4O3S/c1-13-9-16(12-23-20(13)22)15-7-5-14(6-8-15)10-19(26)24-18-11-17(27-25-18)21(2,3)4;1-5(2,3)4/h5-9,11-12H,10H2,1-4H3,(H2,22,23)(H,24,25,26);1H3,(H,2,3,4).
What are the key properties of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid?
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid has a molecular weight of 460.56 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid is sourced from PubChem (CID 162340095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).