5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide

C28H24N4O3 — CID 169300442

IUPAC5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
SMILESCNC(=O)c1ccc2c(ccn2-c2ccc(CNC(=O)c3ncc(Cc4ccccc4)o3)cc2)c1
InChIInChI=1S/C28H24N4O3/c1-29-26(33)22-9-12-25-21(16-22)13-14-32(25)23-10-7-20(8-11-23)17-30-27(34)28-31-18-24(35-28)15-19-5-3-2-4-6-19/h2-14,16,18H,15,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyCVCSEZBAGZIFQA-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.50
Rot. Bonds7

About 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide

5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide (PubChem CID 169300442) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
PubChem CID169300442
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
SMILESCNC(=O)c1ccc2c(ccn2-c2ccc(CNC(=O)c3ncc(Cc4ccccc4)o3)cc2)c1
InChIInChI=1S/C28H24N4O3/c1-29-26(33)22-9-12-25-21(16-22)13-14-32(25)23-10-7-20(8-11-23)17-30-27(34)28-31-18-24(35-28)15-19-5-3-2-4-6-19/h2-14,16,18H,15,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyCVCSEZBAGZIFQA-UHFFFAOYSA-N
XLogP4.50
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide (CID 169300442) is 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide is CNC(=O)c1ccc2c(ccn2-c2ccc(CNC(=O)c3ncc(Cc4ccccc4)o3)cc2)c1.
What is the InChIKey of 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
The InChIKey is CVCSEZBAGZIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-29-26(33)22-9-12-25-21(16-22)13-14-32(25)23-10-7-20(8-11-23)17-30-27(34)28-31-18-24(35-28)15-19-5-3-2-4-6-19/h2-14,16,18H,15,17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 169300442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).