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

C8H13N3O2 — CID 10702608

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide
SMILESCC(C)(C)c1nc(CNC=O)no1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)7-10-6(11-13-7)4-9-5-12/h5H,4H2,1-3H3,(H,9,12)
InChIKeyDSPOHBHWHDLZNH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.61
Rot. Bonds3

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

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide (PubChem CID 10702608) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide
PubChem CID10702608
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide
SMILESCC(C)(C)c1nc(CNC=O)no1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)7-10-6(11-13-7)4-9-5-12/h5H,4H2,1-3H3,(H,9,12)
InChIKeyDSPOHBHWHDLZNH-UHFFFAOYSA-N
XLogP0.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide (CID 10702608) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide is CC(C)(C)c1nc(CNC=O)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide?
The InChIKey is DSPOHBHWHDLZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)7-10-6(11-13-7)4-9-5-12/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide has a molecular weight of 183.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide is sourced from PubChem (CID 10702608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).