4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole

C18H27N5O — CID 146070987

IUPAC4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1nc(C2CN(Cc3c(C)noc3C)CC23CCCC3)n[nH]1
InChIInChI=1S/C18H27N5O/c1-4-16-19-17(21-20-16)15-10-23(11-18(15)7-5-6-8-18)9-14-12(2)22-24-13(14)3/h15H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyDIWVRNCRNUTWNV-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.13
Rot. Bonds4

About 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 146070987) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID146070987
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1nc(C2CN(Cc3c(C)noc3C)CC23CCCC3)n[nH]1
InChIInChI=1S/C18H27N5O/c1-4-16-19-17(21-20-16)15-10-23(11-18(15)7-5-6-8-18)9-14-12(2)22-24-13(14)3/h15H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyDIWVRNCRNUTWNV-UHFFFAOYSA-N
XLogP3.13
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 146070360
4-[[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 129487434
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238563
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96996858
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238559
4-[[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124547930
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805101
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 146070987) is 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCc1nc(C2CN(Cc3c(C)noc3C)CC23CCCC3)n[nH]1.
What is the InChIKey of 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DIWVRNCRNUTWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-16-19-17(21-20-16)15-10-23(11-18(15)7-5-6-8-18)9-14-12(2)22-24-13(14)3/h15H,4-11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 329.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 146070987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).