[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone

C17H25N3O3 — CID 97397894

IUPAC[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC[C@]2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H25N3O3/c21-16(15-4-6-18-23-15)20-7-1-5-17(12-20)11-19(8-9-22-13-17)10-14-2-3-14/h4,6,14H,1-3,5,7-13H2/t17-/m1/s1
InChIKeyGZKIQKPSGJNNST-QGZVFWFLSA-N
MW319.40 g/mol
LogP1.64
Rot. Bonds3

About [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone

[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 97397894) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID97397894
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC[C@]2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H25N3O3/c21-16(15-4-6-18-23-15)20-7-1-5-17(12-20)11-19(8-9-22-13-17)10-14-2-3-14/h4,6,14H,1-3,5,7-13H2/t17-/m1/s1
InChIKeyGZKIQKPSGJNNST-QGZVFWFLSA-N
XLogP1.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 134072768
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 97494457
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
(6R)-11-(cyclopropylmethyl)-2-(thiophen-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372753
[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone
CID 155879187
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
CID 97397948
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
3-(oxan-4-ylmethyl)-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 171689870

Frequently Asked Questions

What is the IUPAC name of [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone (CID 97397894) is [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCC[C@]2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is GZKIQKPSGJNNST-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(15-4-6-18-23-15)20-7-1-5-17(12-20)11-19(8-9-22-13-17)10-14-2-3-14/h4,6,14H,1-3,5,7-13H2/t17-/m1/s1.
What are the key properties of [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone?
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97397894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).