2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C19H31N3O3 — CID 72917938

IUPAC2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3cc(C(C)C)no3)CC2)CC1=O
InChIInChI=1S/C19H31N3O3/c1-15(2)17-11-16(25-20-17)13-21-8-5-19(6-9-21)12-18(23)22(14-19)7-4-10-24-3/h11,15H,4-10,12-14H2,1-3H3
InChIKeyCGOHDVXGRQXKIW-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.65
Rot. Bonds7

About 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72917938) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72917938
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3cc(C(C)C)no3)CC2)CC1=O
InChIInChI=1S/C19H31N3O3/c1-15(2)17-11-16(25-20-17)13-21-8-5-19(6-9-21)12-18(23)22(14-19)7-4-10-24-3/h11,15H,4-10,12-14H2,1-3H3
InChIKeyCGOHDVXGRQXKIW-UHFFFAOYSA-N
XLogP2.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72917938) is 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(Cc3cc(C(C)C)no3)CC2)CC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CGOHDVXGRQXKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)17-11-16(25-20-17)13-21-8-5-19(6-9-21)12-18(23)22(14-19)7-4-10-24-3/h11,15H,4-10,12-14H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 349.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72917938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).