2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C16H21N5O3 — CID 134711935

IUPAC2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C16H21N5O3/c1-21(10-14(22)18-9-13-3-2-8-23-13)11-15-19-16(20-24-15)12-4-6-17-7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,18,22)
InChIKeyWFRIARKLMCJCNM-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.86
Rot. Bonds7

About 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 134711935) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID134711935
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C16H21N5O3/c1-21(10-14(22)18-9-13-3-2-8-23-13)11-15-19-16(20-24-15)12-4-6-17-7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,18,22)
InChIKeyWFRIARKLMCJCNM-UHFFFAOYSA-N
XLogP0.86
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133209749
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100763862
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 110300179
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 134711935) is 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is CN(CC(=O)NCC1CCCO1)Cc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WFRIARKLMCJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21(10-14(22)18-9-13-3-2-8-23-13)11-15-19-16(20-24-15)12-4-6-17-7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,18,22).
What are the key properties of 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 134711935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).