N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C11H12N2O2S — CID 46347096

IUPACN-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-2-5-12-11(14)9-10(15-7-13-9)8-4-3-6-16-8/h3-4,6-7H,2,5H2,1H3,(H,12,14)
InChIKeyPQJMHMKRZWCDRN-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.54
Rot. Bonds4

About N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46347096) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46347096
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-2-5-12-11(14)9-10(15-7-13-9)8-4-3-6-16-8/h3-4,6-7H,2,5H2,1H3,(H,12,14)
InChIKeyPQJMHMKRZWCDRN-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 46347096) is N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CCCNC(=O)c1ncoc1-c1cccs1.
What is the InChIKey of N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PQJMHMKRZWCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-5-12-11(14)9-10(15-7-13-9)8-4-3-6-16-8/h3-4,6-7H,2,5H2,1H3,(H,12,14).
What are the key properties of N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).