N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide

C10H14N2O3 — CID 15692978

IUPACN-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NC(C)(C)C)c1C=O
InChIInChI=1S/C10H14N2O3/c1-6-7(5-13)8(15-12-6)9(14)11-10(2,3)4/h5H,1-4H3,(H,11,14)
InChIKeyVQVPGMZMASCYFG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.32
Rot. Bonds2

About N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide

N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 15692978) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID15692978
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NC(C)(C)C)c1C=O
InChIInChI=1S/C10H14N2O3/c1-6-7(5-13)8(15-12-6)9(14)11-10(2,3)4/h5H,1-4H3,(H,11,14)
InChIKeyVQVPGMZMASCYFG-UHFFFAOYSA-N
XLogP1.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.32
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-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide (CID 15692978) is N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)NC(C)(C)C)c1C=O.
What is the InChIKey of N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VQVPGMZMASCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-7(5-13)8(15-12-6)9(14)11-10(2,3)4/h5H,1-4H3,(H,11,14).
What are the key properties of N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide?
N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-formyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 15692978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).