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

C15H18N2O2S — CID 4777467

IUPACN-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H18N2O2S/c18-15(16-11-6-3-1-2-4-7-11)12-10-13(19-17-12)14-8-5-9-20-14/h5,8-11H,1-4,6-7H2,(H,16,18)
InChIKeyWJFXIEZRMBLSPG-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.86
Rot. Bonds3

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

N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 4777467) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID4777467
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H18N2O2S/c18-15(16-11-6-3-1-2-4-7-11)12-10-13(19-17-12)14-8-5-9-20-14/h5,8-11H,1-4,6-7H2,(H,16,18)
InChIKeyWJFXIEZRMBLSPG-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 4777467) is N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NC1CCCCCC1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WJFXIEZRMBLSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-15(16-11-6-3-1-2-4-7-11)12-10-13(19-17-12)14-8-5-9-20-14/h5,8-11H,1-4,6-7H2,(H,16,18).
What are the key properties of N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4777467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).