cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C11H15N5O — CID 114173534

IUPACcis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCn1ccc(-c2noc([C@@H]3CC[C@H](N)C3)n2)n1
InChIInChI=1S/C11H15N5O/c1-16-5-4-9(14-16)10-13-11(17-15-10)7-2-3-8(12)6-7/h4-5,7-8H,2-3,6,12H2,1H3/t7-,8+/m1/s1
InChIKeyOJPZIAAIZIWPGK-SFYZADRCSA-N
MW233.27 g/mol
LogP1.06
Rot. Bonds2

About cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 114173534) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID114173534
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Namecis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCn1ccc(-c2noc([C@@H]3CC[C@H](N)C3)n2)n1
InChIInChI=1S/C11H15N5O/c1-16-5-4-9(14-16)10-13-11(17-15-10)7-2-3-8(12)6-7/h4-5,7-8H,2-3,6,12H2,1H3/t7-,8+/m1/s1
InChIKeyOJPZIAAIZIWPGK-SFYZADRCSA-N
XLogP1.06
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1R,2S)-2-(fluoromethyl)cyclopropyl]-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 167803090
3-(1-Methylpyrazol-3-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 65195951
2-[3-(1-Methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65195957
5-(3-Methylpiperidin-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65195961
1-[3-(1-Methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65196005
4-Ethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65196006
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 65196009
3-(1-Methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65196052
5-(4-Methylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65196054
3-(1-Methylpyrazol-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65196055
5-(3-Ethylpyrrolidin-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65196056
3-[3-(1-Methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65196061

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 114173534) is cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is Cn1ccc(-c2noc([C@@H]3CC[C@H](N)C3)n2)n1.
What is the InChIKey of cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is OJPZIAAIZIWPGK-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-5-4-9(14-16)10-13-11(17-15-10)7-2-3-8(12)6-7/h4-5,7-8H,2-3,6,12H2,1H3/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 114173534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).