[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone

C20H28N4O3 — CID 124791278

IUPAC[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1COC2(CN(Cc3cccnc3)C2)CN1CC1CC1)N1CCCO1
InChIInChI=1S/C20H28N4O3/c25-19(24-7-2-8-27-24)18-12-26-20(15-23(18)11-16-4-5-16)13-22(14-20)10-17-3-1-6-21-9-17/h1,3,6,9,16,18H,2,4-5,7-8,10-15H2/t18-/m1/s1
InChIKeyGMDKZZKWNICJQC-GOSISDBHSA-N
MW372.47 g/mol
LogP0.91
Rot. Bonds5

About [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone

[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 124791278) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID124791278
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1COC2(CN(Cc3cccnc3)C2)CN1CC1CC1)N1CCCO1
InChIInChI=1S/C20H28N4O3/c25-19(24-7-2-8-27-24)18-12-26-20(15-23(18)11-16-4-5-16)13-22(14-20)10-17-3-1-6-21-9-17/h1,3,6,9,16,18H,2,4-5,7-8,10-15H2/t18-/m1/s1
InChIKeyGMDKZZKWNICJQC-GOSISDBHSA-N
XLogP0.91
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Related Compounds

8-(cyclopropylmethyl)-N-methyl-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155861445
[(3aS,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787402
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
[(7S)-8-methyl-2-pyrimidin-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124809338
[(3aR,6S,7aR)-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97380401
9-(oxan-4-ylmethyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155841188
2-[(3S,3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97486014
N-[[(7S)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 124895976
2-[[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131650208
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131678398
[8-methyl-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155832141
8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824993

Frequently Asked Questions

What is the IUPAC name of [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone (CID 124791278) is [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@H]1COC2(CN(Cc3cccnc3)C2)CN1CC1CC1)N1CCCO1.
What is the InChIKey of [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is GMDKZZKWNICJQC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(24-7-2-8-27-24)18-12-26-20(15-23(18)11-16-4-5-16)13-22(14-20)10-17-3-1-6-21-9-17/h1,3,6,9,16,18H,2,4-5,7-8,10-15H2/t18-/m1/s1.
What are the key properties of [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone?
[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 124791278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).