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

C22H19N5O2 — CID 510929

IUPACN-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)cc1
InChIInChI=1S/C22H19N5O2/c1-14(28)24-11-15-3-5-16(6-4-15)21-12-25-22(29-21)26-18-7-8-19-17(10-23)13-27(2)20(19)9-18/h3-9,12-13H,11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyKCBYXRWAMRQKGI-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.08
Rot. Bonds5

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

N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide (PubChem CID 510929) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
PubChem CID510929
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)cc1
InChIInChI=1S/C22H19N5O2/c1-14(28)24-11-15-3-5-16(6-4-15)21-12-25-22(29-21)26-18-7-8-19-17(10-23)13-27(2)20(19)9-18/h3-9,12-13H,11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyKCBYXRWAMRQKGI-UHFFFAOYSA-N
XLogP4.08
TPSA95.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.08
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]acetamide?
The IUPAC name of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide (CID 510929) is N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)cc1.
What is the InChIKey of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The InChIKey is KCBYXRWAMRQKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14(28)24-11-15-3-5-16(6-4-15)21-12-25-22(29-21)26-18-7-8-19-17(10-23)13-27(2)20(19)9-18/h3-9,12-13H,11H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
N-[[4-[2-[(3-cyano-1-methylindol-6-yl)amino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 4.08, 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]acetamide is sourced from PubChem (CID 510929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).