3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C19H23N7O2 — CID 131944113

IUPAC3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(Cc2nc3ncccn3n2)CC1)c1cc(C2CC2)no1
InChIInChI=1S/C19H23N7O2/c27-18(16-10-15(24-28-16)14-2-3-14)21-11-13-4-8-25(9-5-13)12-17-22-19-20-6-1-7-26(19)23-17/h1,6-7,10,13-14H,2-5,8-9,11-12H2,(H,21,27)
InChIKeyRHARIZZAYVAIAB-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.63
Rot. Bonds6

About 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 131944113) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID131944113
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(Cc2nc3ncccn3n2)CC1)c1cc(C2CC2)no1
InChIInChI=1S/C19H23N7O2/c27-18(16-10-15(24-28-16)14-2-3-14)21-11-13-4-8-25(9-5-13)12-17-22-19-20-6-1-7-26(19)23-17/h1,6-7,10,13-14H,2-5,8-9,11-12H2,(H,21,27)
InChIKeyRHARIZZAYVAIAB-UHFFFAOYSA-N
XLogP1.63
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59648399
US11186582, Example 434
CID 118472483
US11186582, Example 425
CID 118472578
US20230286943, Example 54
CID 166871796
(3-Ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 45232967
5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56884311
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
3-pentan-3-yl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 72000364
3-butan-2-yl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
CID 72000812
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-5-methylisoxazole-3-carboxamide
CID 91813786
(3-Phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 110233973
N-[(3-isobutylisoxazol-5-yl)methyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 131925027

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 131944113) is 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCN(Cc2nc3ncccn3n2)CC1)c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is RHARIZZAYVAIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-18(16-10-15(24-28-16)14-2-3-14)21-11-13-4-8-25(9-5-13)12-17-22-19-20-6-1-7-26(19)23-17/h1,6-7,10,13-14H,2-5,8-9,11-12H2,(H,21,27).
What are the key properties of 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131944113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).