N-(5-tert-butyl-1,2-oxazol-3-yl)formamide

C8H12N2O2 — CID 19841679

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)formamide
SMILESCC(C)(C)c1cc(NC=O)no1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)6-4-7(9-5-11)10-12-6/h4-5H,1-3H3,(H,9,10,11)
InChIKeyGCBVVBXTDWVIMA-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.54
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)formamide

N-(5-tert-butyl-1,2-oxazol-3-yl)formamide (PubChem CID 19841679) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)formamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)formamide
PubChem CID19841679
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)formamide
SMILESCC(C)(C)c1cc(NC=O)no1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)6-4-7(9-5-11)10-12-6/h4-5H,1-3H3,(H,9,10,11)
InChIKeyGCBVVBXTDWVIMA-UHFFFAOYSA-N
XLogP1.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-oxazol-3-yl)formamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)formamide (CID 19841679) is N-(5-tert-butyl-1,2-oxazol-3-yl)formamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)formamide is CC(C)(C)c1cc(NC=O)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
The InChIKey is GCBVVBXTDWVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)6-4-7(9-5-11)10-12-6/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)formamide has a molecular weight of 168.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)formamide is sourced from PubChem (CID 19841679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).