2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole

C15H25N3O — CID 106376662

IUPAC2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCNC3(CCCCC3)C2)o1
InChIInChI=1S/C15H25N3O/c1-2-13-10-16-14(19-13)11-18-9-8-17-15(12-18)6-4-3-5-7-15/h10,17H,2-9,11-12H2,1H3
InChIKeyAVZLJYPGINSNJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds3

About 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole

2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole (PubChem CID 106376662) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole
PubChem CID106376662
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCNC3(CCCCC3)C2)o1
InChIInChI=1S/C15H25N3O/c1-2-13-10-16-14(19-13)11-18-9-8-17-15(12-18)6-4-3-5-7-15/h10,17H,2-9,11-12H2,1H3
InChIKeyAVZLJYPGINSNJV-UHFFFAOYSA-N
XLogP2.35
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376648
5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole
CID 64952344
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394
2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376633
4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 115882998
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376771
3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole
CID 81173500
9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055328
9-[(4,5-dimethylthiophen-2-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 65245766
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
CID 64950198
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole
CID 112644966

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole (CID 106376662) is 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole is CCc1cnc(CN2CCNC3(CCCCC3)C2)o1.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole?
The InChIKey is AVZLJYPGINSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-13-10-16-14(19-13)11-18-9-8-17-15(12-18)6-4-3-5-7-15/h10,17H,2-9,11-12H2,1H3.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole?
2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole has a molecular weight of 263.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole is sourced from PubChem (CID 106376662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).