4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C18H18N2O5 — CID 6623752

IUPAC4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1noc2c1COc1ccccc1-2)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H18N2O5/c21-17(20-7-5-18(6-8-20)23-9-10-24-18)15-13-11-22-14-4-2-1-3-12(14)16(13)25-19-15/h1-4H,5-11H2
InChIKeySRYYLRDXHNRTKD-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.21
Rot. Bonds1

About 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 6623752) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID6623752
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1noc2c1COc1ccccc1-2)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H18N2O5/c21-17(20-7-5-18(6-8-20)23-9-10-24-18)15-13-11-22-14-4-2-1-3-12(14)16(13)25-19-15/h1-4H,5-11H2
InChIKeySRYYLRDXHNRTKD-UHFFFAOYSA-N
XLogP2.21
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
CID 110702838
(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
CID 22551053
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 20973307
N-(2-methylcyclohexyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271825
N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271776
(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 167911859
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677758
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585

Frequently Asked Questions

What is the IUPAC name of 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 6623752) is 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1noc2c1COc1ccccc1-2)N1CCC2(CC1)OCCO2.
What is the InChIKey of 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SRYYLRDXHNRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-17(20-7-5-18(6-8-20)23-9-10-24-18)15-13-11-22-14-4-2-1-3-12(14)16(13)25-19-15/h1-4H,5-11H2.
What are the key properties of 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 342.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 6623752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).