N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide

C25H25N5O2 — CID 510930

IUPACN-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCn1cc(C#N)c2ccc(Nc3ncc(-c4ccc(CNC(=O)C(C)(C)C)cc4)o3)cc21
InChIInChI=1S/C25H25N5O2/c1-25(2,3)23(31)27-13-16-5-7-17(8-6-16)22-14-28-24(32-22)29-19-9-10-20-18(12-26)15-30(4)21(20)11-19/h5-11,14-15H,13H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyZDMTZWXBWWRJSB-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.11
Rot. Bonds5

About N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide

N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 510930) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID510930
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCn1cc(C#N)c2ccc(Nc3ncc(-c4ccc(CNC(=O)C(C)(C)C)cc4)o3)cc21
InChIInChI=1S/C25H25N5O2/c1-25(2,3)23(31)27-13-16-5-7-17(8-6-16)22-14-28-24(32-22)29-19-9-10-20-18(12-26)15-30(4)21(20)11-19/h5-11,14-15H,13H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyZDMTZWXBWWRJSB-UHFFFAOYSA-N
XLogP5.11
TPSA95.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide (CID 510930) is N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide is Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccc(CNC(=O)C(C)(C)C)cc4)o3)cc21.
What is the InChIKey of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is ZDMTZWXBWWRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-25(2,3)23(31)27-13-16-5-7-17(8-6-16)22-14-28-24(32-22)29-19-9-10-20-18(12-26)15-30(4)21(20)11-19/h5-11,14-15H,13H2,1-4H3,(H,27,31)(H,28,29).
What are the key properties of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 427.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 510930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).