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

C22H19N5O3 — CID 53242183

IUPACN-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESO=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C22H19N5O3/c28-21(25-19-13-16(26-30-19)11-14-5-2-1-3-6-14)17-8-7-15-12-18-22(29)23-9-4-10-27(18)20(15)24-17/h1-3,5-8,12-13H,4,9-11H2,(H,23,29)(H,25,28)
InChIKeyMJQGDJQVIHPYTB-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.00
Rot. Bonds4

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

N-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242183) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242183
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESO=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C22H19N5O3/c28-21(25-19-13-16(26-30-19)11-14-5-2-1-3-6-14)17-8-7-15-12-18-22(29)23-9-4-10-27(18)20(15)24-17/h1-3,5-8,12-13H,4,9-11H2,(H,23,29)(H,25,28)
InChIKeyMJQGDJQVIHPYTB-UHFFFAOYSA-N
XLogP3.00
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzyl-1,2-oxazol-5-yl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57400466
N-(5-benzyl-1,2-oxazol-3-yl)-10-methyl-6-oxo-7,8,9,10-tetrahydro-6H-pyrido[3',2':4,5]pyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 53242177
14-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242181
(12R,13S)-12,13-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242184
N-(3-benzyl-1,2-oxazol-5-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242185
N-(5-Methyl-1,2-oxazol-3-yl)-6-oxo-7,8,9,10-tetrahydro-6H-pyrido[3',2':4,5]pyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 53242193
(13R)-13-methyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242194
(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242209
(12R,13S)-N-(5-benzyl-1,2-oxazol-3-yl)-12,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242210
13,13-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
CID 68322600
13,13-dimethyl-10-oxo-N-(5-phenyl-1,2-oxazol-3-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
CID 68322601
N-(5-benzyl-1,2-oxazol-3-yl)-13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
CID 68322603

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,2-oxazol-5-yl)-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-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242183) is N-(3-benzyl-1,2-oxazol-5-yl)-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-(3-benzyl-1,2-oxazol-5-yl)-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-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3n(c2n1)CCCNC3=O.
What is the InChIKey of N-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is MJQGDJQVIHPYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-21(25-19-13-16(26-30-19)11-14-5-2-1-3-6-14)17-8-7-15-12-18-22(29)23-9-4-10-27(18)20(15)24-17/h1-3,5-8,12-13H,4,9-11H2,(H,23,29)(H,25,28).
What are the key properties of N-(3-benzyl-1,2-oxazol-5-yl)-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
N-(3-benzyl-1,2-oxazol-5-yl)-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 401.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,2-oxazol-5-yl)-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 53242183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).