(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H29N3O2 — CID 3233198

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(CC(C)C)C2)C1
InChIInChI=1S/C18H29N3O2/c1-13(2)10-20-9-7-18(11-20)6-5-8-21(12-18)17(22)16-14(3)19-23-15(16)4/h13H,5-12H2,1-4H3/t18-/m0/s1
InChIKeyHFCAOQMJFHGRGW-SFHVURJKSA-N
MW319.45 g/mol
LogP2.88
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233198) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233198
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(CC(C)C)C2)C1
InChIInChI=1S/C18H29N3O2/c1-13(2)10-20-9-7-18(11-20)6-5-8-21(12-18)17(22)16-14(3)19-23-15(16)4/h13H,5-12H2,1-4H3/t18-/m0/s1
InChIKeyHFCAOQMJFHGRGW-SFHVURJKSA-N
XLogP2.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233198) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(CC(C)C)C2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is HFCAOQMJFHGRGW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)10-20-9-7-18(11-20)6-5-8-21(12-18)17(22)16-14(3)19-23-15(16)4/h13H,5-12H2,1-4H3/t18-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.88, 3 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)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).