tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate

C18H23N5O4 — CID 155350427

IUPACtert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nn3c(c2C1)-c1nocc1CC(C(N)=O)C3
InChIInChI=1S/C18H23N5O4/c1-18(2,3)27-17(25)22-5-4-13-12(8-22)15-14-11(9-26-21-14)6-10(16(19)24)7-23(15)20-13/h9-10H,4-8H2,1-3H3,(H2,19,24)
InChIKeyVSVDUJJDLLRIEX-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate

tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate (PubChem CID 155350427) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate
PubChem CID155350427
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Nametert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nn3c(c2C1)-c1nocc1CC(C(N)=O)C3
InChIInChI=1S/C18H23N5O4/c1-18(2,3)27-17(25)22-5-4-13-12(8-22)15-14-11(9-26-21-14)6-10(16(19)24)7-23(15)20-13/h9-10H,4-8H2,1-3H3,(H2,19,24)
InChIKeyVSVDUJJDLLRIEX-UHFFFAOYSA-N
XLogP1.49
TPSA116.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate with MolForge

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Related Compounds

tert-butyl 8-hydroxy-8-(hydroxymethyl)-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate
CID 155343344
tert-butyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 102132128
tert-butyl 11-[methoxy(methyl)carbamoyl]-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylate;ethane
CID 155731726
14,14-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-11-carboxylic acid
CID 155343784
tert-butyl 2-(4-carbamoylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 118174370
tert-butyl 14,14-difluorospiro[4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-11,2'-oxirane]-4-carboxylate
CID 155727969
tert-butyl 4-iodo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 130120542
tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777
tert-butyl 2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86767357
tert-butyl (12R)-14,14-difluoro-12-(hydroxymethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylate
CID 155341484
tert-butyl 3-methoxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 162360762
tert-butyl (11S)-11,14,14-trifluoro-11-(hydroxymethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxylate
CID 155341625

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate?
The IUPAC name of tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate (CID 155350427) is tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate.
What is the SMILES notation for tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate?
The canonical SMILES for tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate is CC(C)(C)OC(=O)N1CCc2nn3c(c2C1)-c1nocc1CC(C(N)=O)C3.
What is the InChIKey of tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate?
The InChIKey is VSVDUJJDLLRIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-18(2,3)27-17(25)22-5-4-13-12(8-22)15-14-11(9-26-21-14)6-10(16(19)24)7-23(15)20-13/h9-10H,4-8H2,1-3H3,(H2,19,24).
What are the key properties of tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate?
tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-carbamoyl-4-oxa-3,10,11,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2,5,11-tetraene-15-carboxylate is sourced from PubChem (CID 155350427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).