[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C19H30N4O3 — CID 131923678

IUPAC[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCOC2(CCN(CCCn3cccn3)CC2)C1
InChIInChI=1S/C19H30N4O3/c24-18(17-4-1-14-25-17)22-13-15-26-19(16-22)5-11-21(12-6-19)8-3-10-23-9-2-7-20-23/h2,7,9,17H,1,3-6,8,10-16H2/t17-/m1/s1
InChIKeySAVZGQDZOFOCSS-QGZVFWFLSA-N
MW362.47 g/mol
LogP1.15
Rot. Bonds5

About [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131923678) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131923678
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCOC2(CCN(CCCn3cccn3)CC2)C1
InChIInChI=1S/C19H30N4O3/c24-18(17-4-1-14-25-17)22-13-15-26-19(16-22)5-11-21(12-6-19)8-3-10-23-9-2-7-20-23/h2,7,9,17H,1,3-6,8,10-16H2/t17-/m1/s1
InChIKeySAVZGQDZOFOCSS-QGZVFWFLSA-N
XLogP1.15
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-oxolan-2-yl]-[(2R,5S)-2-(pyrazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 97452142
[(2S)-oxolan-2-yl]-[2-(pyrazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 133140308
1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174
[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131652950
[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 97492362
[(3S,5S)-3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 124914020
(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 51078971
4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 60591485
[4-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(2S)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833466
4-(1,3-dioxolan-2-yl)-1-(5-pyrazol-1-ylpentyl)piperidine
CID 56550628
[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394437
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 131923678) is [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is O=C([C@H]1CCCO1)N1CCOC2(CCN(CCCn3cccn3)CC2)C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is SAVZGQDZOFOCSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-18(17-4-1-14-25-17)22-13-15-26-19(16-22)5-11-21(12-6-19)8-3-10-23-9-2-7-20-23/h2,7,9,17H,1,3-6,8,10-16H2/t17-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131923678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).