tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid

C9H15N3O3 — CID 67458294

IUPACtert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid
SMILESCc1nc(CN(C(=O)O)C(C)(C)C)no1
InChIInChI=1S/C9H15N3O3/c1-6-10-7(11-15-6)5-12(8(13)14)9(2,3)4/h5H2,1-4H3,(H,13,14)
InChIKeyZKPXCXKFJOEDSN-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid

tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid (PubChem CID 67458294) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid
PubChem CID67458294
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nametert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid
SMILESCc1nc(CN(C(=O)O)C(C)(C)C)no1
InChIInChI=1S/C9H15N3O3/c1-6-10-7(11-15-6)5-12(8(13)14)9(2,3)4/h5H2,1-4H3,(H,13,14)
InChIKeyZKPXCXKFJOEDSN-UHFFFAOYSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid?
The IUPAC name of tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid (CID 67458294) is tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid?
The canonical SMILES for tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid is Cc1nc(CN(C(=O)O)C(C)(C)C)no1.
What is the InChIKey of tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid?
The InChIKey is ZKPXCXKFJOEDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6-10-7(11-15-6)5-12(8(13)14)9(2,3)4/h5H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid?
tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid has a molecular weight of 213.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid is sourced from PubChem (CID 67458294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).