[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone

C15H21N3O3 — CID 129429155

IUPAC[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
SMILESCc1noc([C@H]2COCCN2C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C15H21N3O3/c1-9-16-14(21-17-9)13-8-20-5-4-18(13)15(19)12-7-10-2-3-11(12)6-10/h10-13H,2-8H2,1H3/t10-,11-,12-,13+/m0/s1
InChIKeyYXHNMOXVHUEAAF-ZDEQEGDKSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds2

About [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone

[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone (PubChem CID 129429155) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
PubChem CID129429155
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
SMILESCc1noc([C@H]2COCCN2C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1
InChIInChI=1S/C15H21N3O3/c1-9-16-14(21-17-9)13-8-20-5-4-18(13)15(19)12-7-10-2-3-11(12)6-10/h10-13H,2-8H2,1H3/t10-,11-,12-,13+/m0/s1
InChIKeyYXHNMOXVHUEAAF-ZDEQEGDKSA-N
XLogP1.71
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone (CID 129429155) is [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone is Cc1noc([C@H]2COCCN2C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1.
What is the InChIKey of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is YXHNMOXVHUEAAF-ZDEQEGDKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-16-14(21-17-9)13-8-20-5-4-18(13)15(19)12-7-10-2-3-11(12)6-10/h10-13H,2-8H2,1H3/t10-,11-,12-,13+/m0/s1.
What are the key properties of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 291.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129429155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).