5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C12H14N2O2S — CID 17253279

IUPAC5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-8(2)11-6-10(14-16-11)12(15)13-7-9-4-3-5-17-9/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyQSPPQUYCDULKRD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.79
Rot. Bonds4

About 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253279) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID17253279
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-8(2)11-6-10(14-16-11)12(15)13-7-9-4-3-5-17-9/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyQSPPQUYCDULKRD-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 17253279) is 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCc2cccs2)no1.
What is the InChIKey of 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QSPPQUYCDULKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(2)11-6-10(14-16-11)12(15)13-7-9-4-3-5-17-9/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).