tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate

C17H23N3O3 — CID 70964240

IUPACtert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
SMILESCC(C)c1noc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C17H23N3O3/c1-11(2)15-19-14(23-20-15)10-12-6-8-13(9-7-12)18-16(21)22-17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyDHCIDJNAZDMGAA-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate

tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate (PubChem CID 70964240) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
PubChem CID70964240
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
SMILESCC(C)c1noc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C17H23N3O3/c1-11(2)15-19-14(23-20-15)10-12-6-8-13(9-7-12)18-16(21)22-17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyDHCIDJNAZDMGAA-UHFFFAOYSA-N
XLogP4.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
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N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate (CID 70964240) is tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate is CC(C)c1noc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1.
What is the InChIKey of tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate?
The InChIKey is DHCIDJNAZDMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)15-19-14(23-20-15)10-12-6-8-13(9-7-12)18-16(21)22-17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate?
tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 70964240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).