(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine

C13H21N5O — CID 104916138

IUPAC(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
SMILESCC(C)CC(CN)Cc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C13H21N5O/c1-9(2)6-10(8-14)7-12-15-13(17-19-12)11-4-5-18(3)16-11/h4-5,9-10H,6-8,14H2,1-3H3
InChIKeyYTANQGZFDUJROG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds6

About (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine

(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine (PubChem CID 104916138) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
PubChem CID104916138
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
SMILESCC(C)CC(CN)Cc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C13H21N5O/c1-9(2)6-10(8-14)7-12-15-13(17-19-12)11-4-5-18(3)16-11/h4-5,9-10H,6-8,14H2,1-3H3
InChIKeyYTANQGZFDUJROG-UHFFFAOYSA-N
XLogP1.63
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65198178
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65198229
(2S)-2-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916111
(2S)-2-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916087
(2S)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 107917833
N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65198230
4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196556
3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 65196500
2-[[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 107916319
3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65197705

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The IUPAC name of (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine (CID 104916138) is (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine.
What is the SMILES notation for (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The canonical SMILES for (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine is CC(C)CC(CN)Cc1nc(-c2ccn(C)n2)no1.
What is the InChIKey of (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The InChIKey is YTANQGZFDUJROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)6-10(8-14)7-12-15-13(17-19-12)11-4-5-18(3)16-11/h4-5,9-10H,6-8,14H2,1-3H3.
What are the key properties of (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine is sourced from PubChem (CID 104916138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).