3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine

C15H18N6O — CID 97119011

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NC[C@H](C)Cn2cccn2)n1
InChIInChI=1S/C15H18N6O/c1-11(10-21-8-4-7-18-21)9-17-14-13(5-3-6-16-14)15-19-12(2)20-22-15/h3-8,11H,9-10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyLTVWQJZLXIAZLY-NSHDSACASA-N
MW298.35 g/mol
LogP2.38
Rot. Bonds6

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine (PubChem CID 97119011) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
PubChem CID97119011
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NC[C@H](C)Cn2cccn2)n1
InChIInChI=1S/C15H18N6O/c1-11(10-21-8-4-7-18-21)9-17-14-13(5-3-6-16-14)15-19-12(2)20-22-15/h3-8,11H,9-10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyLTVWQJZLXIAZLY-NSHDSACASA-N
XLogP2.38
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56835800
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyridinamine
CID 26406529
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-2-pyridinamine
CID 45216000
5-[3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]-2-pyridinamine
CID 45227696
N-{5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl}-N-[2-(4-methylpiperidino)ethyl]amine
CID 53037269
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyridin-2-amine
CID 70749318
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-5-(3-isobutyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 70785095
2,6-Difluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892952
2,5-Difluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892966
2-(4-Fluorophenyl)-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)acetamide
CID 91892967

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine (CID 97119011) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine is Cc1noc(-c2cccnc2NC[C@H](C)Cn2cccn2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
The InChIKey is LTVWQJZLXIAZLY-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(10-21-8-4-7-18-21)9-17-14-13(5-3-6-16-14)15-19-12(2)20-22-15/h3-8,11H,9-10H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine is sourced from PubChem (CID 97119011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).