[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C20H27N3O4 — CID 131940284

IUPAC[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCOC3(CCN(Cc4ccoc4)CC3)C2)no1
InChIInChI=1S/C20H27N3O4/c1-2-3-17-12-18(21-27-17)19(24)23-9-11-26-20(15-23)5-7-22(8-6-20)13-16-4-10-25-14-16/h4,10,12,14H,2-3,5-9,11,13,15H2,1H3
InChIKeyRPZLVZQKUAARQI-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.73
Rot. Bonds5

About [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 131940284) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID131940284
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCOC3(CCN(Cc4ccoc4)CC3)C2)no1
InChIInChI=1S/C20H27N3O4/c1-2-3-17-12-18(21-27-17)19(24)23-9-11-26-20(15-23)5-7-22(8-6-20)13-16-4-10-25-14-16/h4,10,12,14H,2-3,5-9,11,13,15H2,1H3
InChIKeyRPZLVZQKUAARQI-UHFFFAOYSA-N
XLogP2.73
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70771089
[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
CID 97450771
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 52950036
5-[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrrole-3-carbonitrile
CID 131907059
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
CID 73212667
3-pentan-2-yl-8-(5-propyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70753407
9-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849181
3-[2-(dimethylamino)ethyl]-8-(5-propyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70715851
1-[9-[(3-ethyl-5-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2,2,2-trifluoroethanone
CID 143843631

Frequently Asked Questions

What is the IUPAC name of [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 131940284) is [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCOC3(CCN(Cc4ccoc4)CC3)C2)no1.
What is the InChIKey of [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RPZLVZQKUAARQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-3-17-12-18(21-27-17)19(24)23-9-11-26-20(15-23)5-7-22(8-6-20)13-16-4-10-25-14-16/h4,10,12,14H,2-3,5-9,11,13,15H2,1H3.
What are the key properties of [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 373.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 131940284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).