(1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

C17H23N5O4 — CID 118769002

IUPAC(1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2
InChIInChI=1S/C17H23N5O4/c1-21-9-17-5-3-11(26-17)13(14(17)16(21)24)15(23)18-6-4-12-20-19-10-22(12)7-8-25-2/h3,5,10-11,13-14H,4,6-9H2,1-2H3,(H,18,23)/t11-,13-,14+,17-/m0/s1
InChIKeyYHEAGNPYAMEDBQ-DPYKFYPSSA-N
MW361.40 g/mol
LogP-1.00
Rot. Bonds7

About (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 118769002) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name(1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID118769002
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name(1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2
InChIInChI=1S/C17H23N5O4/c1-21-9-17-5-3-11(26-17)13(14(17)16(21)24)15(23)18-6-4-12-20-19-10-22(12)7-8-25-2/h3,5,10-11,13-14H,4,6-9H2,1-2H3,(H,18,23)/t11-,13-,14+,17-/m0/s1
InChIKeyYHEAGNPYAMEDBQ-DPYKFYPSSA-N
XLogP-1.00
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide with MolForge

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Related Compounds

(1R,5S,6R,7S)-3-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 118767205
(1R,5S,6R,7S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 118763719
(1R,5S,6R,7S)-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 11863196
(1R,5S,6R,7R)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 100832592
(1S,5S,6R,7R)-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 11888433
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154565636
(1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 124790782
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
cis-(1S,2R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135088766
3-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 122176518
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91783809
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The IUPAC name of (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 118769002) is (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.
What is the SMILES notation for (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The canonical SMILES for (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COCCn1cnnc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2.
What is the InChIKey of (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The InChIKey is YHEAGNPYAMEDBQ-DPYKFYPSSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-21-9-17-5-3-11(26-17)13(14(17)16(21)24)15(23)18-6-4-12-20-19-10-22(12)7-8-25-2/h3,5,10-11,13-14H,4,6-9H2,1-2H3,(H,18,23)/t11-,13-,14+,17-/m0/s1.
What are the key properties of (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
(1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 361.40 g/mol, XLogP of -1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 118769002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).