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

C18H23N5O2 — CID 3235315

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H23N5O2/c1-13-15(14(2)25-21-13)16(24)22-9-3-5-18(11-22)6-10-23(12-18)17-19-7-4-8-20-17/h4,7-8H,3,5-6,9-12H2,1-2H3/t18-/m1/s1
InChIKeyUGSXMOOGPUWFIQ-GOSISDBHSA-N
MW341.42 g/mol
LogP2.21
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3235315) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3235315
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H23N5O2/c1-13-15(14(2)25-21-13)16(24)22-9-3-5-18(11-22)6-10-23(12-18)17-19-7-4-8-20-17/h4,7-8H,3,5-6,9-12H2,1-2H3/t18-/m1/s1
InChIKeyUGSXMOOGPUWFIQ-GOSISDBHSA-N
XLogP2.21
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3235315) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-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-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is UGSXMOOGPUWFIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-15(14(2)25-21-13)16(24)22-9-3-5-18(11-22)6-10-23(12-18)17-19-7-4-8-20-17/h4,7-8H,3,5-6,9-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 341.42 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3235315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).