[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone

C16H23N5O3 — CID 167769311

IUPAC[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cn(Cc3conc3C(C)(C)C)nn2)C1
InChIInChI=1S/C16H23N5O3/c1-16(2,3)14-11(10-24-18-14)7-21-9-13(17-19-21)15(22)20-6-5-12(8-20)23-4/h9-10,12H,5-8H2,1-4H3
InChIKeyZBNMSBDMROMCKD-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.47
Rot. Bonds4

About [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone

[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 167769311) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID167769311
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cn(Cc3conc3C(C)(C)C)nn2)C1
InChIInChI=1S/C16H23N5O3/c1-16(2,3)14-11(10-24-18-14)7-21-9-13(17-19-21)15(22)20-6-5-12(8-20)23-4/h9-10,12H,5-8H2,1-4H3
InChIKeyZBNMSBDMROMCKD-UHFFFAOYSA-N
XLogP1.47
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
CID 138051926
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42287586
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
[1-(azetidin-3-yl)triazol-4-yl]-(4-methoxypiperidin-1-yl)methanone
CID 79316756
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
[4-(3-hydroxy-3-methylbutyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 167769311) is [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2cn(Cc3conc3C(C)(C)C)nn2)C1.
What is the InChIKey of [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is ZBNMSBDMROMCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-16(2,3)14-11(10-24-18-14)7-21-9-13(17-19-21)15(22)20-6-5-12(8-20)23-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 167769311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).