N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C17H20N2O2S — CID 19582703

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)on1)C1CC2CCC1C2
InChIInChI=1S/C17H20N2O2S/c1-10(13-8-11-4-5-12(13)7-11)18-17(20)14-9-15(21-19-14)16-3-2-6-22-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyPUSWQNOSDFODDA-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 19582703) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID19582703
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)on1)C1CC2CCC1C2
InChIInChI=1S/C17H20N2O2S/c1-10(13-8-11-4-5-12(13)7-11)18-17(20)14-9-15(21-19-14)16-3-2-6-22-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyPUSWQNOSDFODDA-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 98272059
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 129377025
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 124893332
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 129376502
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46661812
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78765319

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 19582703) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(-c2cccs2)on1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PUSWQNOSDFODDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10(13-8-11-4-5-12(13)7-11)18-17(20)14-9-15(21-19-14)16-3-2-6-22-16/h2-3,6,9-13H,4-5,7-8H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19582703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).