3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate

C14H19N2O5+ — CID 6929334

IUPAC3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC23COC[NH+]2COC3)cc1
InChIInChI=1S/C14H18N2O5/c1-18-12-4-2-11(3-5-12)15-13(17)21-8-14-6-19-9-16(14)10-20-7-14/h2-5H,6-10H2,1H3,(H,15,17)/p+1
InChIKeyUGIZJSNRYJNRGA-UHFFFAOYSA-O
MW295.31 g/mol
LogP-0.16
Rot. Bonds4

About 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate

3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate (PubChem CID 6929334) has the molecular formula C14H19N2O5+ and a molecular weight of 295.31 g/mol. Its IUPAC name is 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate
PubChem CID6929334
Molecular FormulaC14H19N2O5+
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC23COC[NH+]2COC3)cc1
InChIInChI=1S/C14H18N2O5/c1-18-12-4-2-11(3-5-12)15-13(17)21-8-14-6-19-9-16(14)10-20-7-14/h2-5H,6-10H2,1H3,(H,15,17)/p+1
InChIKeyUGIZJSNRYJNRGA-UHFFFAOYSA-O
XLogP-0.16
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate 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

[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263551
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
CID 4749408
[(1S,7S)-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263555
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
CID 59019482
1,3-bis(4-methoxyphenyl)urea
CID 139045428
cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate
CID 16750613

Frequently Asked Questions

What is the IUPAC name of 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate (CID 6929334) is 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC23COC[NH+]2COC3)cc1.
What is the InChIKey of 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate?
The InChIKey is UGIZJSNRYJNRGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O5/c1-18-12-4-2-11(3-5-12)15-13(17)21-8-14-6-19-9-16(14)10-20-7-14/h2-5H,6-10H2,1H3,(H,15,17)/p+1.
What are the key properties of 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate?
3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate has a molecular weight of 295.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 6929334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).