2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C19H29N3O3S — CID 155494073

IUPAC2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C(C)C)cs3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29N3O3S/c1-12(2)15-10-26-18(21-15)8-22-7-14-13(6-20-17(23)9-24-3)16-4-5-19(14,11-22)25-16/h10,12-14,16H,4-9,11H2,1-3H3,(H,20,23)/t13-,14+,16+,19+/m0/s1
InChIKeyFORZBCCCNCXQOX-XWESNNAXSA-N
MW379.53 g/mol
LogP2.01
Rot. Bonds7

About 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 155494073) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID155494073
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C(C)C)cs3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29N3O3S/c1-12(2)15-10-26-18(21-15)8-22-7-14-13(6-20-17(23)9-24-3)16-4-5-19(14,11-22)25-16/h10,12-14,16H,4-9,11H2,1-3H3,(H,20,23)/t13-,14+,16+,19+/m0/s1
InChIKeyFORZBCCCNCXQOX-XWESNNAXSA-N
XLogP2.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 155494073) is 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is COCC(=O)NC[C@H]1[C@H]2CN(Cc3nc(C(C)C)cs3)C[C@]23CC[C@H]1O3.
What is the InChIKey of 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is FORZBCCCNCXQOX-XWESNNAXSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-12(2)15-10-26-18(21-15)8-22-7-14-13(6-20-17(23)9-24-3)16-4-5-19(14,11-22)25-16/h10,12-14,16H,4-9,11H2,1-3H3,(H,20,23)/t13-,14+,16+,19+/m0/s1.
What are the key properties of 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 155494073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).