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

C17H23N5O — CID 70755417

IUPAC3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCCC23CCN(c2ncccn2)CC3)on1
InChIInChI=1S/C17H23N5O/c1-14-12-15(23-20-14)13-22-9-2-4-17(22)5-10-21(11-6-17)16-18-7-3-8-19-16/h3,7-8,12H,2,4-6,9-11,13H2,1H3
InChIKeyPJKOGFCHBQMSGY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.41
Rot. Bonds3

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

3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole (PubChem CID 70755417) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole
PubChem CID70755417
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCCC23CCN(c2ncccn2)CC3)on1
InChIInChI=1S/C17H23N5O/c1-14-12-15(23-20-14)13-22-9-2-4-17(22)5-10-21(11-6-17)16-18-7-3-8-19-16/h3,7-8,12H,2,4-6,9-11,13H2,1H3
InChIKeyPJKOGFCHBQMSGY-UHFFFAOYSA-N
XLogP2.41
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole
CID 3233307
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234330
4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]morpholine
CID 3233635
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpyrimidin-4-amine
CID 3233642
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235315
3,5-Dimethyl-4-pyrimidin-2-yl-1,2-oxazole
CID 44820609
(3-Ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 45232967
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 51084261
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 51084264
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51085056
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-methyl-1,2-oxazole
CID 53576753
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-3-methyl-1,2-oxazole
CID 53595816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole (CID 70755417) is 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole is Cc1cc(CN2CCCC23CCN(c2ncccn2)CC3)on1.
What is the InChIKey of 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole?
The InChIKey is PJKOGFCHBQMSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-12-15(23-20-14)13-22-9-2-4-17(22)5-10-21(11-6-17)16-18-7-3-8-19-16/h3,7-8,12H,2,4-6,9-11,13H2,1H3.
What are the key properties of 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole?
3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole has a molecular weight of 313.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 70755417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).