(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C17H27N3O3 — CID 134072732

IUPAC(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESCc1nocc1C(=O)N1CCCC2(COCCN(C(C)C)C2)C1
InChIInChI=1S/C17H27N3O3/c1-13(2)19-7-8-22-12-17(10-19)5-4-6-20(11-17)16(21)15-9-23-18-14(15)3/h9,13H,4-8,10-12H2,1-3H3
InChIKeyBQAWJPJXLGAAFF-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.95
Rot. Bonds2

About (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 134072732) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
PubChem CID134072732
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESCc1nocc1C(=O)N1CCCC2(COCCN(C(C)C)C2)C1
InChIInChI=1S/C17H27N3O3/c1-13(2)19-7-8-22-12-17(10-19)5-4-6-20(11-17)16(21)15-9-23-18-14(15)3/h9,13H,4-8,10-12H2,1-3H3
InChIKeyBQAWJPJXLGAAFF-UHFFFAOYSA-N
XLogP1.95
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
CID 131657267
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752
(3-methyl-1,2-oxazol-4-yl)-[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072585
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074824
1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855375
(3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398265
1-ethyl-8-(3-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118739664
(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
CID 131685131
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 134072768
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 72863190

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The IUPAC name of (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 134072732) is (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is Cc1nocc1C(=O)N1CCCC2(COCCN(C(C)C)C2)C1.
What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The InChIKey is BQAWJPJXLGAAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)19-7-8-22-12-17(10-19)5-4-6-20(11-17)16(21)15-9-23-18-14(15)3/h9,13H,4-8,10-12H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 134072732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).