N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide

C17H21N3O3 — CID 131952470

IUPACN-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)CC1CCCOC1
InChIInChI=1S/C17H21N3O3/c1-20(17(21)9-13-3-2-8-22-12-13)11-15-10-16(19-23-15)14-4-6-18-7-5-14/h4-7,10,13H,2-3,8-9,11-12H2,1H3
InChIKeyVYRGVMRUIDZOGC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide

N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 131952470) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID131952470
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)CC1CCCOC1
InChIInChI=1S/C17H21N3O3/c1-20(17(21)9-13-3-2-8-22-12-13)11-15-10-16(19-23-15)14-4-6-18-7-5-14/h4-7,10,13H,2-3,8-9,11-12H2,1H3
InChIKeyVYRGVMRUIDZOGC-UHFFFAOYSA-N
XLogP2.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126452767
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 124756945
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 95875059
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 131902477
(2S)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95895559
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 70777169
2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 72888940
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
CID 97202176

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 131952470) is N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)CC1CCCOC1.
What is the InChIKey of N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is VYRGVMRUIDZOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20(17(21)9-13-3-2-8-22-12-13)11-15-10-16(19-23-15)14-4-6-18-7-5-14/h4-7,10,13H,2-3,8-9,11-12H2,1H3.
What are the key properties of N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-3-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 131952470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).