tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen

C13H19N5O3 — CID 164902583

IUPACtert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)Nc1cccc2c1OCC1=NNNN12.[H][H]
InChIInChI=1S/C13H17N5O3.H2/c1-13(2,3)21-12(19)14-8-5-4-6-9-11(8)20-7-10-15-16-17-18(9)10;/h4-6,16-17H,7H2,1-3H3,(H,14,19);1H
InChIKeyDNOBHUBZODQUPK-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen

tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen (PubChem CID 164902583) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen
PubChem CID164902583
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nametert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)Nc1cccc2c1OCC1=NNNN12.[H][H]
InChIInChI=1S/C13H17N5O3.H2/c1-13(2,3)21-12(19)14-8-5-4-6-9-11(8)20-7-10-15-16-17-18(9)10;/h4-6,16-17H,7H2,1-3H3,(H,14,19);1H
InChIKeyDNOBHUBZODQUPK-UHFFFAOYSA-N
XLogP1.81
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
CID 164944406
tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
CID 164944410
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
CID 69419090
tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
CID 68546563
azane;tert-butyl N-(1-amino-2-imino-4-methyl-3H-quinoxalin-5-yl)carbamate;molecular hydrogen
CID 164902537
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(3-morpholin-4-yl-2-nitrophenyl)carbamate
CID 175353189
tert-butyl N-(7-bromo-1,3-benzodioxol-4-yl)carbamate
CID 166541090
tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate
CID 122134015
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid
CID 156860553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen (CID 164902583) is tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen is CC(C)(C)OC(=O)Nc1cccc2c1OCC1=NNNN12.[H][H].
What is the InChIKey of tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen?
The InChIKey is DNOBHUBZODQUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3.H2/c1-13(2,3)21-12(19)14-8-5-4-6-9-11(8)20-7-10-15-16-17-18(9)10;/h4-6,16-17H,7H2,1-3H3,(H,14,19);1H.
What are the key properties of tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen?
tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen has a molecular weight of 293.33 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,4-dihydro-1H-tetrazolo[5,1-c][1,4]benzoxazin-6-yl)carbamate;molecular hydrogen is sourced from PubChem (CID 164902583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).