N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H14N2O2S — CID 3242425

IUPACN-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H14N2O2S/c16-13(14-9-4-1-2-5-9)10-8-11(17-15-10)12-6-3-7-18-12/h3,6-9H,1-2,4-5H2,(H,14,16)
InChIKeyINCLMAFIIPBCRL-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.08
Rot. Bonds3

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

N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3242425) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3242425
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H14N2O2S/c16-13(14-9-4-1-2-5-9)10-8-11(17-15-10)12-6-3-7-18-12/h3,6-9H,1-2,4-5H2,(H,14,16)
InChIKeyINCLMAFIIPBCRL-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3242425) is N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is INCLMAFIIPBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(14-9-4-1-2-5-9)10-8-11(17-15-10)12-6-3-7-18-12/h3,6-9H,1-2,4-5H2,(H,14,16).
What are the key properties of N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).