(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

C17H25N5O4 — CID 155491852

IUPAC(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
SMILESCc1nonc1C(=O)NC[C@H]1[C@H]2CN(C(=O)NC(C)C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C17H25N5O4/c1-9(2)19-16(24)22-7-12-11(13-4-5-17(12,8-22)25-13)6-18-15(23)14-10(3)20-26-21-14/h9,11-13H,4-8H2,1-3H3,(H,18,23)(H,19,24)/t11-,12+,13+,17+/m0/s1
InChIKeyDQTUHBNVTQFLCG-SFDCBXKLSA-N
MW363.42 g/mol
LogP0.71
Rot. Bonds4

About (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

(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 (PubChem CID 155491852) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155491852
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name(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
SMILESCc1nonc1C(=O)NC[C@H]1[C@H]2CN(C(=O)NC(C)C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C17H25N5O4/c1-9(2)19-16(24)22-7-12-11(13-4-5-17(12,8-22)25-13)6-18-15(23)14-10(3)20-26-21-14/h9,11-13H,4-8H2,1-3H3,(H,18,23)(H,19,24)/t11-,12+,13+,17+/m0/s1
InChIKeyDQTUHBNVTQFLCG-SFDCBXKLSA-N
XLogP0.71
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nonc1C(=O)NC[C@H]1[C@H]2CN(C(=O)NC(C)C)C[C@]23CC[C@H]1O3.
What is the InChIKey of (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?
The InChIKey is DQTUHBNVTQFLCG-SFDCBXKLSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-9(2)19-16(24)22-7-12-11(13-4-5-17(12,8-22)25-13)6-18-15(23)14-10(3)20-26-21-14/h9,11-13H,4-8H2,1-3H3,(H,18,23)(H,19,24)/t11-,12+,13+,17+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 363.42 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155491852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).