(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C16H22N2O3 — CID 124861804

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESC[C@@H]1N(C(=O)c2cc(C3CC3)on2)CCC12CCOCC2
InChIInChI=1S/C16H22N2O3/c1-11-16(5-8-20-9-6-16)4-7-18(11)15(19)13-10-14(21-17-13)12-2-3-12/h10-12H,2-9H2,1H3/t11-/m0/s1
InChIKeyJSOFHWDLQRPNFF-NSHDSACASA-N
MW290.36 g/mol
LogP2.58
Rot. Bonds2

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 124861804) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID124861804
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESC[C@@H]1N(C(=O)c2cc(C3CC3)on2)CCC12CCOCC2
InChIInChI=1S/C16H22N2O3/c1-11-16(5-8-20-9-6-16)4-7-18(11)15(19)13-10-14(21-17-13)12-2-3-12/h10-12H,2-9H2,1H3/t11-/m0/s1
InChIKeyJSOFHWDLQRPNFF-NSHDSACASA-N
XLogP2.58
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331727
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741830
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
CID 124620944
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410330
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 119042459
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 124861804) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is C[C@@H]1N(C(=O)c2cc(C3CC3)on2)CCC12CCOCC2.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is JSOFHWDLQRPNFF-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-16(5-8-20-9-6-16)4-7-18(11)15(19)13-10-14(21-17-13)12-2-3-12/h10-12H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 290.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 124861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).