ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate

C14H17N3O5 — CID 14627715

IUPACethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate
SMILESCCOC(=O)NC1c2cc3nonc3cc2OC(C)(C)C1O
InChIInChI=1S/C14H17N3O5/c1-4-20-13(19)15-11-7-5-8-9(17-22-16-8)6-10(7)21-14(2,3)12(11)18/h5-6,11-12,18H,4H2,1-3H3,(H,15,19)
InChIKeyNHNNFIBMJGNLON-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.54
Rot. Bonds2

About ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate

ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate (PubChem CID 14627715) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate
PubChem CID14627715
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Nameethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate
SMILESCCOC(=O)NC1c2cc3nonc3cc2OC(C)(C)C1O
InChIInChI=1S/C14H17N3O5/c1-4-20-13(19)15-11-7-5-8-9(17-22-16-8)6-10(7)21-14(2,3)12(11)18/h5-6,11-12,18H,4H2,1-3H3,(H,15,19)
InChIKeyNHNNFIBMJGNLON-UHFFFAOYSA-N
XLogP1.54
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate?
The IUPAC name of ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate (CID 14627715) is ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate.
What is the SMILES notation for ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate?
The canonical SMILES for ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate is CCOC(=O)NC1c2cc3nonc3cc2OC(C)(C)C1O.
What is the InChIKey of ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate?
The InChIKey is NHNNFIBMJGNLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-4-20-13(19)15-11-7-5-8-9(17-22-16-8)6-10(7)21-14(2,3)12(11)18/h5-6,11-12,18H,4H2,1-3H3,(H,15,19).
What are the key properties of ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate?
ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate has a molecular weight of 307.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)carbamate is sourced from PubChem (CID 14627715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).