3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide

C11H18N2O2 — CID 15692944

IUPAC3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(C(C)(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-7(2)12-10(14)8-6-9(13-15-8)11(3,4)5/h6-7H,1-5H3,(H,12,14)
InChIKeyBHIWSOLFYNWCRL-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.11
Rot. Bonds2

About 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide

3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 15692944) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID15692944
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(C(C)(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-7(2)12-10(14)8-6-9(13-15-8)11(3,4)5/h6-7H,1-5H3,(H,12,14)
InChIKeyBHIWSOLFYNWCRL-UHFFFAOYSA-N
XLogP2.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide (CID 15692944) is 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)NC(=O)c1cc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is BHIWSOLFYNWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)12-10(14)8-6-9(13-15-8)11(3,4)5/h6-7H,1-5H3,(H,12,14).
What are the key properties of 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide?
3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 15692944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).