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

C21H21N5O2 — CID 66967989

IUPAC2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(N)nc3C#N)cc2)no1
InChIInChI=1S/C21H21N5O2/c1-21(2,3)17-11-19(26-28-17)25-20(27)10-13-4-6-14(7-5-13)15-8-9-18(23)24-16(15)12-22/h4-9,11H,10H2,1-3H3,(H2,23,24)(H,25,26,27)
InChIKeyIAZCJULJCZVPCN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.67
Rot. Bonds4

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

2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 66967989) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
PubChem CID66967989
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(N)nc3C#N)cc2)no1
InChIInChI=1S/C21H21N5O2/c1-21(2,3)17-11-19(26-28-17)25-20(27)10-13-4-6-14(7-5-13)15-8-9-18(23)24-16(15)12-22/h4-9,11H,10H2,1-3H3,(H2,23,24)(H,25,26,27)
InChIKeyIAZCJULJCZVPCN-UHFFFAOYSA-N
XLogP3.67
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-amino-2-cyano-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-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
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
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-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 163292153
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]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
CID 58990227
CID 58990227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 66967989) is 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(N)nc3C#N)cc2)no1.
What is the InChIKey of 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IAZCJULJCZVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-21(2,3)17-11-19(26-28-17)25-20(27)10-13-4-6-14(7-5-13)15-8-9-18(23)24-16(15)12-22/h4-9,11H,10H2,1-3H3,(H2,23,24)(H,25,26,27).
What are the key properties of 2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?
2-[4-(6-amino-2-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.67, 4 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-cyano-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 66967989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).