(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C19H31N3O3 — CID 134074221

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CC2(CCN(C(=O)c3c(C)noc3C)CC2)CN1C(C)C
InChIInChI=1S/C19H31N3O3/c1-13(2)22-12-19(10-16(22)11-24-5)6-8-21(9-7-19)18(23)17-14(3)20-25-15(17)4/h13,16H,6-12H2,1-5H3
InChIKeyNHVNBCUUOLJLHN-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.64
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 134074221) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID134074221
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CC2(CCN(C(=O)c3c(C)noc3C)CC2)CN1C(C)C
InChIInChI=1S/C19H31N3O3/c1-13(2)22-12-19(10-16(22)11-24-5)6-8-21(9-7-19)18(23)17-14(3)20-25-15(17)4/h13,16H,6-12H2,1-5H3
InChIKeyNHVNBCUUOLJLHN-UHFFFAOYSA-N
XLogP2.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655457
(4-fluorophenyl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134077951
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131684868
2-cyclopentyloxy-1-[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97476740
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
CID 131654595
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 171692453
[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486844
(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375014
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
(3R)-8-(cyclopropylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375029

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 134074221) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is COCC1CC2(CCN(C(=O)c3c(C)noc3C)CC2)CN1C(C)C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is NHVNBCUUOLJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)22-12-19(10-16(22)11-24-5)6-8-21(9-7-19)18(23)17-14(3)20-25-15(17)4/h13,16H,6-12H2,1-5H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 134074221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).