N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide

C11H12N2O2S — CID 17217749

IUPACN-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccon2)cs1
InChIInChI=1S/C11H12N2O2S/c1-7(2)9-5-8(6-16-9)11(14)12-10-3-4-15-13-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyMXLVQVBOJXBUKF-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.11
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide

N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 17217749) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide
PubChem CID17217749
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccon2)cs1
InChIInChI=1S/C11H12N2O2S/c1-7(2)9-5-8(6-16-9)11(14)12-10-3-4-15-13-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyMXLVQVBOJXBUKF-UHFFFAOYSA-N
XLogP3.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1247043
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CID 2218470
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CID 2971043
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CID 1246154
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CID 1225694
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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide (CID 17217749) is N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccon2)cs1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is MXLVQVBOJXBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(2)9-5-8(6-16-9)11(14)12-10-3-4-15-13-10/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide?
N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 17217749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).