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

C21H25N3O3S — CID 155502672

IUPAC2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@H]1[C@H]2CN(Cc3nccs3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H25N3O3S/c25-19(13-26-15-4-2-1-3-5-15)23-10-16-17-11-24(12-20-22-8-9-28-20)14-21(17)7-6-18(16)27-21/h1-5,8-9,16-18H,6-7,10-14H2,(H,23,25)/t16-,17+,18+,21+/m0/s1
InChIKeySXTAYTULVKQATN-XKGFGPFHSA-N
MW399.52 g/mol
LogP2.32
Rot. Bonds7

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

2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 155502672) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID155502672
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@H]1[C@H]2CN(Cc3nccs3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H25N3O3S/c25-19(13-26-15-4-2-1-3-5-15)23-10-16-17-11-24(12-20-22-8-9-28-20)14-21(17)7-6-18(16)27-21/h1-5,8-9,16-18H,6-7,10-14H2,(H,23,25)/t16-,17+,18+,21+/m0/s1
InChIKeySXTAYTULVKQATN-XKGFGPFHSA-N
XLogP2.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155971595
N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 155501401
N-[[(1S,5S,6R,7R)-3-[(4-methoxy-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-phenylacetamide
CID 154823464
formic acid;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 155940902
N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide;formic acid
CID 155939415
N-[[(1S,5S,6R,7R)-3-(2-pyridin-3-ylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155507160
N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]hept-5-enamide
CID 171150724
3-ethoxy-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155507751
N-[[(1S,5S,6R,7R)-3-(2-hydroxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-phenylbutanamide
CID 154819241
N-[[(1S,5S,6R,7R)-3-[(4-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
CID 154817901
4-N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzene-1,4-dicarboxamide
CID 155499567
N-[[(1S,5S,6R,7R)-3-(3-phenylmethoxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155917324

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 155502672) is 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is O=C(COc1ccccc1)NC[C@H]1[C@H]2CN(Cc3nccs3)C[C@]23CC[C@H]1O3.
What is the InChIKey of 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is SXTAYTULVKQATN-XKGFGPFHSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-19(13-26-15-4-2-1-3-5-15)23-10-16-17-11-24(12-20-22-8-9-28-20)14-21(17)7-6-18(16)27-21/h1-5,8-9,16-18H,6-7,10-14H2,(H,23,25)/t16-,17+,18+,21+/m0/s1.
What are the key properties of 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 155502672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).