N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide

C19H25N5O3S — CID 155498254

IUPACN-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3c(C)noc3C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H25N5O3S/c1-10-14(12(3)27-21-10)7-24-8-15-13(16-4-5-19(15,9-24)26-16)6-20-18(25)17-11(2)22-28-23-17/h13,15-16H,4-9H2,1-3H3,(H,20,25)/t13-,15+,16+,19+/m0/s1
InChIKeyJLOHGCDSZIMUQF-GKDNMFGBSA-N
MW403.51 g/mol
LogP1.86
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide

N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 155498254) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID155498254
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3c(C)noc3C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H25N5O3S/c1-10-14(12(3)27-21-10)7-24-8-15-13(16-4-5-19(15,9-24)26-16)6-20-18(25)17-11(2)22-28-23-17/h13,15-16H,4-9H2,1-3H3,(H,20,25)/t13-,15+,16+,19+/m0/s1
InChIKeyJLOHGCDSZIMUQF-GKDNMFGBSA-N
XLogP1.86
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154817277
4-methyl-N-[[(1S,5S,6R,7R)-3-pyrimidin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 155491937
N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 155496247
4-methyl-N-[[(1S,5S,6R,7R)-3-(2-thiophen-3-ylacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 155508806
N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-ethylbutanamide
CID 155506093
N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154819486
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,5S,6R,7R)-3-(2-methylsulfanylacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 169418417
5-ethyl-N-[[(1S,5S,6R,7R)-3-[(5-ethylthiophen-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 155491427
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 155508389
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]benzamide
CID 155494774
5-ethyl-N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 169416983
(1S,5S,6R,7R)-6-[[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155491852

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide (CID 155498254) is N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide is Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3c(C)noc3C)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is JLOHGCDSZIMUQF-GKDNMFGBSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-10-14(12(3)27-21-10)7-24-8-15-13(16-4-5-19(15,9-24)26-16)6-20-18(25)17-11(2)22-28-23-17/h13,15-16H,4-9H2,1-3H3,(H,20,25)/t13-,15+,16+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 155498254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).