(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine

C16H25N5O — CID 97027681

IUPAC(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine
SMILESCCCCc1noc([C@@H](C)NC[C@@H]2CCCn3ccnc32)n1
InChIInChI=1S/C16H25N5O/c1-3-4-7-14-19-16(22-20-14)12(2)18-11-13-6-5-9-21-10-8-17-15(13)21/h8,10,12-13,18H,3-7,9,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyLIGPRSGTVCEZKP-OLZOCXBDSA-N
MW303.41 g/mol
LogP2.84
Rot. Bonds7

About (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine

(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine (PubChem CID 97027681) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine
PubChem CID97027681
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine
SMILESCCCCc1noc([C@@H](C)NC[C@@H]2CCCn3ccnc32)n1
InChIInChI=1S/C16H25N5O/c1-3-4-7-14-19-16(22-20-14)12(2)18-11-13-6-5-9-21-10-8-17-15(13)21/h8,10,12-13,18H,3-7,9,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyLIGPRSGTVCEZKP-OLZOCXBDSA-N
XLogP2.84
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine (CID 97027681) is (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine is CCCCc1noc([C@@H](C)NC[C@@H]2CCCn3ccnc32)n1.
What is the InChIKey of (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
The InChIKey is LIGPRSGTVCEZKP-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-4-7-14-19-16(22-20-14)12(2)18-11-13-6-5-9-21-10-8-17-15(13)21/h8,10,12-13,18H,3-7,9,11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine?
(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine has a molecular weight of 303.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]ethanamine is sourced from PubChem (CID 97027681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).