5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C12H14N2O2S — CID 93480705

IUPAC5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)Cc2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-8(6-10-4-3-5-17-10)13-12(15)11-7-9(2)16-14-11/h3-5,7-8H,6H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyKBOUJBLXSVACLD-QMMMGPOBSA-N
MW250.32 g/mol
LogP2.41
Rot. Bonds4

About 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 93480705) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID93480705
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)Cc2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-8(6-10-4-3-5-17-10)13-12(15)11-7-9(2)16-14-11/h3-5,7-8H,6H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyKBOUJBLXSVACLD-QMMMGPOBSA-N
XLogP2.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 93480705) is 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)Cc2cccs2)no1.
What is the InChIKey of 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KBOUJBLXSVACLD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(6-10-4-3-5-17-10)13-12(15)11-7-9(2)16-14-11/h3-5,7-8H,6H2,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93480705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).