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

C21H24N4O3 — CID 66967674

IUPAC2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1nc(N)ccc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C21H24N4O3/c1-21(2,3)16-12-18(25-28-16)24-19(26)11-13-5-7-14(8-6-13)15-9-10-17(22)23-20(15)27-4/h5-10,12H,11H2,1-4H3,(H2,22,23)(H,24,25,26)
InChIKeyRGZWLSHHTOETQK-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.81
Rot. Bonds5

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

2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 66967674) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
PubChem CID66967674
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1nc(N)ccc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C21H24N4O3/c1-21(2,3)16-12-18(25-28-16)24-19(26)11-13-5-7-14(8-6-13)15-9-10-17(22)23-20(15)27-4/h5-10,12H,11H2,1-4H3,(H2,22,23)(H,24,25,26)
InChIKeyRGZWLSHHTOETQK-UHFFFAOYSA-N
XLogP3.81
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66968381
2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967989
2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 88541866
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
CID 162340095
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
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-(2-fluoro-3-pyridinyl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 150296380
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide
CID 59420539
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 66967674) is 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is COc1nc(N)ccc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C)on2)cc1.
What is the InChIKey of 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RGZWLSHHTOETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2,3)16-12-18(25-28-16)24-19(26)11-13-5-7-14(8-6-13)15-9-10-17(22)23-20(15)27-4/h5-10,12H,11H2,1-4H3,(H2,22,23)(H,24,25,26).
What are the key properties of 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 66967674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).