tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate

C15H16N4O5 — CID 146135327

IUPACtert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2cccc3oc(=O)[nH]c23)n1
InChIInChI=1S/C15H16N4O5/c1-15(2,3)23-13(20)16-7-10-17-12(24-19-10)8-5-4-6-9-11(8)18-14(21)22-9/h4-6H,7H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyZFMPEHANMQVDFO-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate

tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 146135327) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID146135327
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Nametert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2cccc3oc(=O)[nH]c23)n1
InChIInChI=1S/C15H16N4O5/c1-15(2,3)23-13(20)16-7-10-17-12(24-19-10)8-5-4-6-9-11(8)18-14(21)22-9/h4-6H,7H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyZFMPEHANMQVDFO-UHFFFAOYSA-N
XLogP2.20
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 146135327) is tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2cccc3oc(=O)[nH]c23)n1.
What is the InChIKey of tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is ZFMPEHANMQVDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-15(2,3)23-13(20)16-7-10-17-12(24-19-10)8-5-4-6-9-11(8)18-14(21)22-9/h4-6H,7H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 332.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 146135327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).