N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C14H16N2O2S — CID 2971043

IUPACN-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C14H16N2O2S/c17-14(15-13-7-8-18-16-13)12-9-10-5-3-1-2-4-6-11(10)19-12/h7-9H,1-6H2,(H,15,16,17)
InChIKeyOVJKSYILENMGJN-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.65
Rot. Bonds2

About N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 2971043) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID2971043
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C14H16N2O2S/c17-14(15-13-7-8-18-16-13)12-9-10-5-3-1-2-4-6-11(10)19-12/h7-9H,1-6H2,(H,15,16,17)
InChIKeyOVJKSYILENMGJN-UHFFFAOYSA-N
XLogP3.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-3-isoxazolyl-2-phenyl-2-(phenylthio)acetamide
CID 2970368
3-chloro-N-3-isoxazolyl-1-benzothiophene-2-carboxamide
CID 1246314
N-(Isoxazol-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247043
5-bromo-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1246154
N-3-isoxazolyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1225694
N-3-isoxazolyl-5-methyl-3-thiophenecarboxamide
CID 1246798
N-3-isoxazolyl-2-(2-thienyl)acetamide
CID 1246102
N-3-isoxazolyl-1-benzothiophene-3-carboxamide
CID 1247454
N-3-isoxazolyl-5-methyl-4-phenyl-3-thiophenecarboxamide
CID 2970361
N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 2740128
N-(5-methyl-3-isoxazolyl)-(S)-6-methyl-1-thia-4,5,6,7-tetrahydro-3-indenecarboxamide
CID 2146412
N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2315401

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 2971043) is N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is O=C(Nc1ccon1)c1cc2c(s1)CCCCCC2.
What is the InChIKey of N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is OVJKSYILENMGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-14(15-13-7-8-18-16-13)12-9-10-5-3-1-2-4-6-11(10)19-12/h7-9H,1-6H2,(H,15,16,17).
What are the key properties of N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-(1,2-oxazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.65, 2 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)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 2971043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).