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

C19H27N5O — CID 146070360

IUPAC4-[[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1
InChIInChI=1S/C19H27N5O/c1-12-15(13(2)25-23-12)9-24-10-16(19(11-24)7-3-4-8-19)18-20-17(21-22-18)14-5-6-14/h14,16H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyPFMCROPWECNFFC-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.45
Rot. Bonds4

About 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

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 (PubChem CID 146070360) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID146070360
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-[[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1
InChIInChI=1S/C19H27N5O/c1-12-15(13(2)25-23-12)9-24-10-16(19(11-24)7-3-4-8-19)18-20-17(21-22-18)14-5-6-14/h14,16H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyPFMCROPWECNFFC-UHFFFAOYSA-N
XLogP3.45
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]-2-azaspiro[4.4]nonane
CID 146070335
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-(oxan-4-yl)-2-azaspiro[4.4]nonane
CID 146070347
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-morpholin-4-ylpropan-1-one
CID 146070962
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 146070358
3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 99957391
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53192308

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1CC(c2nc(C3CC3)n[nH]2)C2(CCCC2)C1.
What is the InChIKey of 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?
The InChIKey is PFMCROPWECNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-12-15(13(2)25-23-12)9-24-10-16(19(11-24)7-3-4-8-19)18-20-17(21-22-18)14-5-6-14/h14,16H,3-11H2,1-2H3,(H,20,21,22).
What are the key properties of 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?
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 has a molecular weight of 341.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146070360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).