[3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone

C22H34N4O3 — CID 176759237

IUPAC[3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)C1(c2nc(C3CC(C)(C)C3)no2)CN(C(=O)[C@@H]2CC[C@@]3(CCO3)CN2)C1
InChIInChI=1S/C22H34N4O3/c1-14(2)22(19-24-17(25-29-19)15-9-20(3,4)10-15)12-26(13-22)18(27)16-5-6-21(11-23-16)7-8-28-21/h14-16,23H,5-13H2,1-4H3/t16-,21+/m0/s1
InChIKeyAWCYRMXGKSOUPI-HRAATJIYSA-N
MW402.54 g/mol
LogP2.62
Rot. Bonds4

About [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone

[3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 176759237) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name[3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID176759237
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name[3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)C1(c2nc(C3CC(C)(C)C3)no2)CN(C(=O)[C@@H]2CC[C@@]3(CCO3)CN2)C1
InChIInChI=1S/C22H34N4O3/c1-14(2)22(19-24-17(25-29-19)15-9-20(3,4)10-15)12-26(13-22)18(27)16-5-6-21(11-23-16)7-8-28-21/h14-16,23H,5-13H2,1-4H3/t16-,21+/m0/s1
InChIKeyAWCYRMXGKSOUPI-HRAATJIYSA-N
XLogP2.62
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone (CID 176759237) is [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone is CC(C)C1(c2nc(C3CC(C)(C)C3)no2)CN(C(=O)[C@@H]2CC[C@@]3(CCO3)CN2)C1.
What is the InChIKey of [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is AWCYRMXGKSOUPI-HRAATJIYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-14(2)22(19-24-17(25-29-19)15-9-20(3,4)10-15)12-26(13-22)18(27)16-5-6-21(11-23-16)7-8-28-21/h14-16,23H,5-13H2,1-4H3/t16-,21+/m0/s1.
What are the key properties of [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
[3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 402.54 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-5-yl]-3-propan-2-ylazetidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 176759237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).