N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide

C10H18N2O3 — CID 139724489

IUPACN-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)NC(=O)C1=NOC(C)(CO)C1
InChIInChI=1S/C10H18N2O3/c1-9(2,3)11-8(14)7-5-10(4,6-13)15-12-7/h13H,5-6H2,1-4H3,(H,11,14)
InChIKeyMTZUEWZFMNAEIE-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.43
Rot. Bonds2

About N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide

N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide (PubChem CID 139724489) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide
PubChem CID139724489
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)NC(=O)C1=NOC(C)(CO)C1
InChIInChI=1S/C10H18N2O3/c1-9(2,3)11-8(14)7-5-10(4,6-13)15-12-7/h13H,5-6H2,1-4H3,(H,11,14)
InChIKeyMTZUEWZFMNAEIE-UHFFFAOYSA-N
XLogP0.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide (CID 139724489) is N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide is CC(C)(C)NC(=O)C1=NOC(C)(CO)C1.
What is the InChIKey of N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide?
The InChIKey is MTZUEWZFMNAEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(2,3)11-8(14)7-5-10(4,6-13)15-12-7/h13H,5-6H2,1-4H3,(H,11,14).
What are the key properties of N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide?
N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide has a molecular weight of 214.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(hydroxymethyl)-5-methyl-4H-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139724489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).