[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone

C17H20N4O2 — CID 146070506

IUPAC[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
SMILESCc1cnc(C2CN(C)CC23CN(C(=O)c2cccnc2)C3)o1
InChIInChI=1S/C17H20N4O2/c1-12-6-19-15(23-12)14-8-20(2)9-17(14)10-21(11-17)16(22)13-4-3-5-18-7-13/h3-7,14H,8-11H2,1-2H3
InChIKeySALPGCBJTZZUHW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.55
Rot. Bonds2

About [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone

[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone (PubChem CID 146070506) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
PubChem CID146070506
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
SMILESCc1cnc(C2CN(C)CC23CN(C(=O)c2cccnc2)C3)o1
InChIInChI=1S/C17H20N4O2/c1-12-6-19-15(23-12)14-8-20(2)9-17(14)10-21(11-17)16(22)13-4-3-5-18-7-13/h3-7,14H,8-11H2,1-2H3
InChIKeySALPGCBJTZZUHW-UHFFFAOYSA-N
XLogP1.55
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068114
(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068115
N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 146070518
[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 164629827
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
CID 172884571
[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 164638524

Frequently Asked Questions

What is the IUPAC name of [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone (CID 146070506) is [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone is Cc1cnc(C2CN(C)CC23CN(C(=O)c2cccnc2)C3)o1.
What is the InChIKey of [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
The InChIKey is SALPGCBJTZZUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-6-19-15(23-12)14-8-20(2)9-17(14)10-21(11-17)16(22)13-4-3-5-18-7-13/h3-7,14H,8-11H2,1-2H3.
What are the key properties of [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone?
[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 146070506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).