5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

C16H18N4O2S — CID 45242419

IUPAC5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCOCc1noc(-c2ccc(NC(C)Cc3ccsc3)nc2)n1
InChIInChI=1S/C16H18N4O2S/c1-11(7-12-5-6-23-10-12)18-14-4-3-13(8-17-14)16-19-15(9-21-2)20-22-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18)
InChIKeyLNBPXHADLHDHEC-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.38
Rot. Bonds7

About 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (PubChem CID 45242419) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
PubChem CID45242419
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCOCc1noc(-c2ccc(NC(C)Cc3ccsc3)nc2)n1
InChIInChI=1S/C16H18N4O2S/c1-11(7-12-5-6-23-10-12)18-14-4-3-13(8-17-14)16-19-15(9-21-2)20-22-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18)
InChIKeyLNBPXHADLHDHEC-UHFFFAOYSA-N
XLogP3.38
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 51902892
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
CID 29088634
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 45217148
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 51901188
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (CID 45242419) is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is COCc1noc(-c2ccc(NC(C)Cc3ccsc3)nc2)n1.
What is the InChIKey of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is LNBPXHADLHDHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(7-12-5-6-23-10-12)18-14-4-3-13(8-17-14)16-19-15(9-21-2)20-22-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 330.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 45242419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).