2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

C16H16N4O — CID 114876703

IUPAC2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCc1ccncc1-c1noc(CC(N)c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-11-7-8-18-10-13(11)16-19-15(21-20-16)9-14(17)12-5-3-2-4-6-12/h2-8,10,14H,9,17H2,1H3
InChIKeyDGQPLMDUDDCZRU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.68
Rot. Bonds4

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

2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 114876703) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID114876703
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCc1ccncc1-c1noc(CC(N)c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-11-7-8-18-10-13(11)16-19-15(21-20-16)9-14(17)12-5-3-2-4-6-12/h2-8,10,14H,9,17H2,1H3
InChIKeyDGQPLMDUDDCZRU-UHFFFAOYSA-N
XLogP2.68
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 114877008
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982
O-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 114876733
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63840491
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 43102262
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62551888
(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898760
1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 114876517
4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
CID 43299550
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 114876703) is 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is Cc1ccncc1-c1noc(CC(N)c2ccccc2)n1.
What is the InChIKey of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is DGQPLMDUDDCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-7-8-18-10-13(11)16-19-15(21-20-16)9-14(17)12-5-3-2-4-6-12/h2-8,10,14H,9,17H2,1H3.
What are the key properties of 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 114876703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).