N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C23H21N5O3 — CID 53242177

IUPACN-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21
InChIInChI=1S/C23H21N5O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(31-27-20)11-15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,27,29)
InChIKeyAKWFWIHZLMHBGJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.56
Rot. Bonds4

About N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242177) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242177
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21
InChIInChI=1S/C23H21N5O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(31-27-20)11-15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,27,29)
InChIKeyAKWFWIHZLMHBGJ-UHFFFAOYSA-N
XLogP3.56
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242177) is N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cc(Cc5ccccc5)on4)nc3n21.
What is the InChIKey of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is AKWFWIHZLMHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(31-27-20)11-15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,27,29).
What are the key properties of N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).