(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C16H24N2O3 — CID 97395135

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCC[C@H]1CO[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1
InChIInChI=1S/C16H24N2O3/c1-4-13-8-16(20-9-13)6-5-7-18(10-16)15(19)14-11(2)17-21-12(14)3/h13H,4-10H2,1-3H3/t13-,16+/m1/s1
InChIKeyWEAMZPFFYZAPRQ-CJNGLKHVSA-N
MW292.38 g/mol
LogP2.71
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97395135) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97395135
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCC[C@H]1CO[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1
InChIInChI=1S/C16H24N2O3/c1-4-13-8-16(20-9-13)6-5-7-18(10-16)15(19)14-11(2)17-21-12(14)3/h13H,4-10H2,1-3H3/t13-,16+/m1/s1
InChIKeyWEAMZPFFYZAPRQ-CJNGLKHVSA-N
XLogP2.71
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 134074955
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
(3,5-dimethyl-1,2-oxazol-4-yl)-[(7S)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124834860
(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 154582309
(3-methyl-1,2-oxazol-4-yl)-[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072585
(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
CID 131687649
(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124835616
3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
CID 131642141

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97395135) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CC[C@H]1CO[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is WEAMZPFFYZAPRQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13-8-16(20-9-13)6-5-7-18(10-16)15(19)14-11(2)17-21-12(14)3/h13H,4-10H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97395135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).