N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide

C20H25N3O3S — CID 154820949

IUPACN-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide
SMILESCCc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)on1
InChIInChI=1S/C20H25N3O3S/c1-2-14-7-15(26-22-14)9-23-10-17-16(18-3-5-20(17,12-23)25-18)8-21-19(24)13-4-6-27-11-13/h4,6-7,11,16-18H,2-3,5,8-10,12H2,1H3,(H,21,24)/t16-,17+,18+,20+/m0/s1
InChIKeyHWDIQZLTCNNONR-JRBPQWBISA-N
MW387.51 g/mol
LogP2.71
Rot. Bonds6

About N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide

N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide (PubChem CID 154820949) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide
PubChem CID154820949
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide
SMILESCCc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)on1
InChIInChI=1S/C20H25N3O3S/c1-2-14-7-15(26-22-14)9-23-10-17-16(18-3-5-20(17,12-23)25-18)8-21-19(24)13-4-6-27-11-13/h4,6-7,11,16-18H,2-3,5,8-10,12H2,1H3,(H,21,24)/t16-,17+,18+,20+/m0/s1
InChIKeyHWDIQZLTCNNONR-JRBPQWBISA-N
XLogP2.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide (CID 154820949) is N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide is CCc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)on1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide?
The InChIKey is HWDIQZLTCNNONR-JRBPQWBISA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-14-7-15(26-22-14)9-23-10-17-16(18-3-5-20(17,12-23)25-18)8-21-19(24)13-4-6-27-11-13/h4,6-7,11,16-18H,2-3,5,8-10,12H2,1H3,(H,21,24)/t16-,17+,18+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 154820949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).