5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide

C14H18N2O2S — CID 11011326

IUPAC5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide
SMILESC[C@H](NC(=O)c1ncc(C(C)(C)C)o1)c1cccs1
InChIInChI=1S/C14H18N2O2S/c1-9(10-6-5-7-19-10)16-12(17)13-15-8-11(18-13)14(2,3)4/h5-9H,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyIOJYBDXOCWJPLJ-VIFPVBQESA-N
MW278.38 g/mol
LogP3.52
Rot. Bonds3

About 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide

5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide (PubChem CID 11011326) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide
PubChem CID11011326
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide
SMILESC[C@H](NC(=O)c1ncc(C(C)(C)C)o1)c1cccs1
InChIInChI=1S/C14H18N2O2S/c1-9(10-6-5-7-19-10)16-12(17)13-15-8-11(18-13)14(2,3)4/h5-9H,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyIOJYBDXOCWJPLJ-VIFPVBQESA-N
XLogP3.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide (CID 11011326) is 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide is C[C@H](NC(=O)c1ncc(C(C)(C)C)o1)c1cccs1.
What is the InChIKey of 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide?
The InChIKey is IOJYBDXOCWJPLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9(10-6-5-7-19-10)16-12(17)13-15-8-11(18-13)14(2,3)4/h5-9H,1-4H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide?
5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 11011326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).