5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide

C24H20N4O3 — CID 134201653

IUPAC5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide
SMILESCN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C2=C=CC[C@@H]2c2cccnc21
InChIInChI=1S/C24H20N4O3/c1-28-22-19(11-6-12-25-22)17-9-5-10-18(17)21(24(28)30)26-23(29)20-14-16(31-27-20)13-15-7-3-2-4-8-15/h2-8,11-12,14,17,21H,9,13H2,1H3,(H,26,29)/t17-,21+/m0/s1
InChIKeyPAEQVQNGSHHYTM-LAUBAEHRSA-N
MW412.45 g/mol
LogP3.00
Rot. Bonds4

About 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide

5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide (PubChem CID 134201653) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide
PubChem CID134201653
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide
SMILESCN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C2=C=CC[C@@H]2c2cccnc21
InChIInChI=1S/C24H20N4O3/c1-28-22-19(11-6-12-25-22)17-9-5-10-18(17)21(24(28)30)26-23(29)20-14-16(31-27-20)13-15-7-3-2-4-8-15/h2-8,11-12,14,17,21H,9,13H2,1H3,(H,26,29)/t17-,21+/m0/s1
InChIKeyPAEQVQNGSHHYTM-LAUBAEHRSA-N
XLogP3.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-benzyl-N-(5-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)-1,2-oxazole-3-carboxamide
CID 130299194
N-[(1aS,2S,8bR)-4-methyl-3-oxo-1,1a,2,8b-tetrahydrocyclopropa[d][1]benzazepin-2-yl]-5-benzyl-1,2-oxazole-3-carboxamide
CID 130313892
5-benzyl-N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;methane
CID 159861752
5-benzyl-N-[(2R,4S,5S)-7-methyl-6-oxo-7,9,12-triazatricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-5-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(2R,4S,5S)-7-methyl-6-oxo-7,9,12-triazatricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-5-yl]-1,3,4-thiadiazole-2-carboxamide
CID 170720208
5-benzyl-N-[(3R)-5-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 90345421
5-benzyl-N-[(3S)-6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557299
5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide
CID 130299110
N-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-5-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 138742010
5-benzyl-N-[(3S)-5-methyl-7-methylsulfonyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557307
5-benzyl-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557093
5-benzyl-N-[(3S)-1,1,4-trioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 138742719
5-benzyl-N-[(4R,5R)-7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl]-1,3,4-thiadiazole-2-carboxamide
CID 134417614

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide (CID 134201653) is 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide is CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C2=C=CC[C@@H]2c2cccnc21.
What is the InChIKey of 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PAEQVQNGSHHYTM-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-28-22-19(11-6-12-25-22)17-9-5-10-18(17)21(24(28)30)26-23(29)20-14-16(31-27-20)13-15-7-3-2-4-8-15/h2-8,11-12,14,17,21H,9,13H2,1H3,(H,26,29)/t17-,21+/m0/s1.
What are the key properties of 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide?
5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2S,7R)-9-methyl-8-oxo-9,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),4,5,11,13-pentaen-7-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134201653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).