formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide

C22H32N4O5 — CID 155938802

IUPACformic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESCC(C)c1nc(CN2C[C@@H]3[C@H](CNC(=O)C4CC=CC4)[C@H]4CC[C@]3(C2)O4)no1.O=CO
InChIInChI=1S/C21H30N4O3.CH2O2/c1-13(2)20-23-18(24-28-20)11-25-10-16-15(17-7-8-21(16,12-25)27-17)9-22-19(26)14-5-3-4-6-14;2-1-3/h3-4,13-17H,5-12H2,1-2H3,(H,22,26);1H,(H,2,3)/t15-,16+,17+,21+;/m0./s1
InChIKeyRQQGHJJRUQMFDB-QSFXVJEKSA-N
MW432.52 g/mol
LogP1.96
Rot. Bonds6

About formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide

formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 155938802) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID155938802
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Nameformic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESCC(C)c1nc(CN2C[C@@H]3[C@H](CNC(=O)C4CC=CC4)[C@H]4CC[C@]3(C2)O4)no1.O=CO
InChIInChI=1S/C21H30N4O3.CH2O2/c1-13(2)20-23-18(24-28-20)11-25-10-16-15(17-7-8-21(16,12-25)27-17)9-22-19(26)14-5-3-4-6-14;2-1-3/h3-4,13-17H,5-12H2,1-2H3,(H,22,26);1H,(H,2,3)/t15-,16+,17+,21+;/m0./s1
InChIKeyRQQGHJJRUQMFDB-QSFXVJEKSA-N
XLogP1.96
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 154823187
formic acid;6-methoxy-N-[[(1S,5S,6R,7R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 171330793
N-[[(1S,5S,6R,7R)-3-[(3,4-dimethylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide;formic acid
CID 155940572
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-(cyclopent-3-ene-1-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methylpyrazine-2-carboxamide;formic acid
CID 171338650
N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155492521
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-(3-methylbut-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 154823691
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155506065
N-[[(1S,5S,6R,7R)-3-[(3,4-dimethoxy-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide;formic acid
CID 171712304
N-[[(1S,5S,6R,7R)-3-(2-ethoxy-2-methylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 155502004
N-[[(1S,5S,6R,7R)-3-[2-(ethylamino)-2-oxoethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cycloheptanecarboxamide
CID 155493196

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide (CID 155938802) is formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide is CC(C)c1nc(CN2C[C@@H]3[C@H](CNC(=O)C4CC=CC4)[C@H]4CC[C@]3(C2)O4)no1.O=CO.
What is the InChIKey of formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is RQQGHJJRUQMFDB-QSFXVJEKSA-N. The full InChI is InChI=1S/C21H30N4O3.CH2O2/c1-13(2)20-23-18(24-28-20)11-25-10-16-15(17-7-8-21(16,12-25)27-17)9-22-19(26)14-5-3-4-6-14;2-1-3/h3-4,13-17H,5-12H2,1-2H3,(H,22,26);1H,(H,2,3)/t15-,16+,17+,21+;/m0./s1.
What are the key properties of formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide?
formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[[(1S,5S,6R,7R)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 155938802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).