ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate

C17H16N2O4 — CID 15338609

IUPACethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate
SMILESCCOC(=O)Nc1noc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C17H16N2O4/c1-2-21-17(20)18-16-14-9-8-13(10-15(14)23-19-16)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyXTUBCHJRGOGXMX-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.98
Rot. Bonds5

About ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate

ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate (PubChem CID 15338609) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate
PubChem CID15338609
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Nameethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate
SMILESCCOC(=O)Nc1noc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C17H16N2O4/c1-2-21-17(20)18-16-14-9-8-13(10-15(14)23-19-16)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyXTUBCHJRGOGXMX-UHFFFAOYSA-N
XLogP3.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate?
The IUPAC name of ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate (CID 15338609) is ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate is CCOC(=O)Nc1noc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate?
The InChIKey is XTUBCHJRGOGXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-21-17(20)18-16-14-9-8-13(10-15(14)23-19-16)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19,20).
What are the key properties of ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate?
ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate has a molecular weight of 312.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-phenylmethoxy-1,2-benzoxazol-3-yl)carbamate is sourced from PubChem (CID 15338609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).