methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate

C15H20N4O3 — CID 29088634

IUPACmethyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
SMILESCOC(=O)CCNc1ccc(-c2nc(CC(C)C)no2)cn1
InChIInChI=1S/C15H20N4O3/c1-10(2)8-13-18-15(22-19-13)11-4-5-12(17-9-11)16-7-6-14(20)21-3/h4-5,9-10H,6-8H2,1-3H3,(H,16,17)
InChIKeyQEQRTBNRQMJLMT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.31
Rot. Bonds7

About methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate

methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate (PubChem CID 29088634) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
PubChem CID29088634
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namemethyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
SMILESCOC(=O)CCNc1ccc(-c2nc(CC(C)C)no2)cn1
InChIInChI=1S/C15H20N4O3/c1-10(2)8-13-18-15(22-19-13)11-4-5-12(17-9-11)16-7-6-14(20)21-3/h4-5,9-10H,6-8H2,1-3H3,(H,16,17)
InChIKeyQEQRTBNRQMJLMT-UHFFFAOYSA-N
XLogP2.31
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate with MolForge

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Related Compounds

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 45231546
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 45242419
methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
CID 60653849
(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 51902892
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
3-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 20819051
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937
methyl (3S)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]butanoate
CID 96503422
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 28766344
5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 70706972

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate?
The IUPAC name of methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate (CID 29088634) is methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate is COC(=O)CCNc1ccc(-c2nc(CC(C)C)no2)cn1.
What is the InChIKey of methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate?
The InChIKey is QEQRTBNRQMJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10(2)8-13-18-15(22-19-13)11-4-5-12(17-9-11)16-7-6-14(20)21-3/h4-5,9-10H,6-8H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate?
methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate has a molecular weight of 304.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 29088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).