6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile

C20H25N5O2 — CID 131911644

IUPAC6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
SMILESCc1noc(C)c1CN1CCC2(CC1)CN(c1cccc(C#N)n1)CCO2
InChIInChI=1S/C20H25N5O2/c1-15-18(16(2)27-23-15)13-24-8-6-20(7-9-24)14-25(10-11-26-20)19-5-3-4-17(12-21)22-19/h3-5H,6-11,13-14H2,1-2H3
InChIKeyMPLCHNQVJOVRNF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds3

About 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile

6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile (PubChem CID 131911644) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
PubChem CID131911644
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
SMILESCc1noc(C)c1CN1CCC2(CC1)CN(c1cccc(C#N)n1)CCO2
InChIInChI=1S/C20H25N5O2/c1-15-18(16(2)27-23-15)13-24-8-6-20(7-9-24)14-25(10-11-26-20)19-5-3-4-17(12-21)22-19/h3-5H,6-11,13-14H2,1-2H3
InChIKeyMPLCHNQVJOVRNF-UHFFFAOYSA-N
XLogP2.43
TPSA78.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile
CID 70721833
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 136519023
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492303
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888
6-[(6S)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
CID 97494753
6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile
CID 133420547
6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile
CID 175927128
6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 50960880
9-[(2-methyl-1H-imidazol-5-yl)methyl]-4-quinoxalin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131905202
10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131646878

Frequently Asked Questions

What is the IUPAC name of 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile (CID 131911644) is 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile is Cc1noc(C)c1CN1CCC2(CC1)CN(c1cccc(C#N)n1)CCO2.
What is the InChIKey of 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
The InChIKey is MPLCHNQVJOVRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-18(16(2)27-23-15)13-24-8-6-20(7-9-24)14-25(10-11-26-20)19-5-3-4-17(12-21)22-19/h3-5H,6-11,13-14H2,1-2H3.
What are the key properties of 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile?
6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 131911644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).