17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione

C21H26N4O5 — CID 154563633

IUPAC17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
SMILESCc1ccc2c(c1)C(=O)NCCN(C(=O)c1ncoc1C)CCCC(=O)NCCO2
InChIInChI=1S/C21H26N4O5/c1-14-5-6-17-16(12-14)20(27)23-7-10-25(21(28)19-15(2)30-13-24-19)9-3-4-18(26)22-8-11-29-17/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHNMFLNIPSDZNBJ-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.45
Rot. Bonds1

About 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione

17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione (PubChem CID 154563633) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione.

Molecular Properties

Compound Name17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
PubChem CID154563633
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
SMILESCc1ccc2c(c1)C(=O)NCCN(C(=O)c1ncoc1C)CCCC(=O)NCCO2
InChIInChI=1S/C21H26N4O5/c1-14-5-6-17-16(12-14)20(27)23-7-10-25(21(28)19-15(2)30-13-24-19)9-3-4-18(26)22-8-11-29-17/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHNMFLNIPSDZNBJ-UHFFFAOYSA-N
XLogP1.45
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione with MolForge

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Related Compounds

17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
CID 146045348
10-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-17-methyl-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
CID 154563355
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7,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
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1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
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7-[bromo-(1-methylcyclopentyl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526671
(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone
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10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione
CID 146042261
16-chloro-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione;formic acid
CID 155940087

Frequently Asked Questions

What is the IUPAC name of 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
The IUPAC name of 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione (CID 154563633) is 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione.
What is the SMILES notation for 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
The canonical SMILES for 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione is Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1ncoc1C)CCCC(=O)NCCO2.
What is the InChIKey of 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
The InChIKey is HNMFLNIPSDZNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-14-5-6-17-16(12-14)20(27)23-7-10-25(21(28)19-15(2)30-13-24-19)9-3-4-18(26)22-8-11-29-17/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione has a molecular weight of 414.46 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-10-(5-methyl-1,3-oxazole-4-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione is sourced from PubChem (CID 154563633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).