tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate

C16H23FN8O5 — CID 21017917

IUPACtert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate
SMILESCc1noc(=O)n1C/C(F)=C/CCC(NC(=O)OC(C)(C)C)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C16H23FN8O5/c1-9-22-30-15(28)25(9)8-10(17)6-5-7-11(18-14(27)29-16(2,3)4)12(26)19-13-20-23-24-21-13/h6,11H,5,7-8H2,1-4H3,(H,18,27)(H2,19,20,21,23,24,26)/b10-6-
InChIKeyNWZLNEOVZPVIEY-POHAHGRESA-N
MW426.41 g/mol
LogP0.82
Rot. Bonds8

About tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate

tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate (PubChem CID 21017917) has the molecular formula C16H23FN8O5 and a molecular weight of 426.41 g/mol. Its IUPAC name is tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate
PubChem CID21017917
Molecular FormulaC16H23FN8O5
Molecular Weight426.41 g/mol
Exact Mass426.18
IUPAC Nametert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate
SMILESCc1noc(=O)n1C/C(F)=C/CCC(NC(=O)OC(C)(C)C)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C16H23FN8O5/c1-9-22-30-15(28)25(9)8-10(17)6-5-7-11(18-14(27)29-16(2,3)4)12(26)19-13-20-23-24-21-13/h6,11H,5,7-8H2,1-4H3,(H,18,27)(H2,19,20,21,23,24,26)/b10-6-
InChIKeyNWZLNEOVZPVIEY-POHAHGRESA-N
XLogP0.82
TPSA169.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(E,2S)-7-(1-aminoethylamino)-6-fluoro-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate
CID 163629285
1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride
CID 11079682
6-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 85448839
methyl (E)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)hept-5-enoate
CID 59035973
methyl (2S)-7-(1-aminoethylideneamino)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate
CID 91616251
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 166179112
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2H-tetrazol-5-yl)propanoate
CID 139887175
tert-butyl N-(1-anilino-1-oxohex-5-en-2-yl)carbamate
CID 169162257
tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
CID 140914884
tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
CID 101433047
2-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 82109317
tert-butyl N-[(2R)-1-[4-bromo-5-methoxy-2-(2H-tetrazol-5-yl)anilino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 131748015

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate (CID 21017917) is tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate is Cc1noc(=O)n1C/C(F)=C/CCC(NC(=O)OC(C)(C)C)C(=O)Nc1nn[nH]n1.
What is the InChIKey of tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate?
The InChIKey is NWZLNEOVZPVIEY-POHAHGRESA-N. The full InChI is InChI=1S/C16H23FN8O5/c1-9-22-30-15(28)25(9)8-10(17)6-5-7-11(18-14(27)29-16(2,3)4)12(26)19-13-20-23-24-21-13/h6,11H,5,7-8H2,1-4H3,(H,18,27)(H2,19,20,21,23,24,26)/b10-6-.
What are the key properties of tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate?
tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate has a molecular weight of 426.41 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-6-fluoro-7-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)-1-oxo-1-(2H-tetrazol-5-ylamino)hept-5-en-2-yl]carbamate is sourced from PubChem (CID 21017917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).