3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole

C19H31N3O2 — CID 97474559

IUPAC3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC3(CC2)C[C@@H](COCC2CC2)N(C)C3)no1
InChIInChI=1S/C19H31N3O2/c1-15-9-17(20-24-15)11-22-7-5-19(6-8-22)10-18(21(2)14-19)13-23-12-16-3-4-16/h9,16,18H,3-8,10-14H2,1-2H3/t18-/m0/s1
InChIKeyULOCGRWIRWZIGG-SFHVURJKSA-N
MW333.48 g/mol
LogP2.70
Rot. Bonds6

About 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole

3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 97474559) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID97474559
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC3(CC2)C[C@@H](COCC2CC2)N(C)C3)no1
InChIInChI=1S/C19H31N3O2/c1-15-9-17(20-24-15)11-22-7-5-19(6-8-22)10-18(21(2)14-19)13-23-12-16-3-4-16/h9,16,18H,3-8,10-14H2,1-2H3/t18-/m0/s1
InChIKeyULOCGRWIRWZIGG-SFHVURJKSA-N
XLogP2.70
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 131652864
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131653506
(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97476713
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 97486240
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119848

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole (CID 97474559) is 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCC3(CC2)C[C@@H](COCC2CC2)N(C)C3)no1.
What is the InChIKey of 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is ULOCGRWIRWZIGG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15-9-17(20-24-15)11-22-7-5-19(6-8-22)10-18(21(2)14-19)13-23-12-16-3-4-16/h9,16,18H,3-8,10-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 333.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 97474559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).