trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine

C12H14N4O — CID 96803162

IUPACtrans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H14N4O/c13-10-5-1-4-9(10)12-15-11(16-17-12)8-3-2-6-14-7-8/h2-3,6-7,9-10H,1,4-5,13H2/t9-,10-/m1/s1
InChIKeyRDICDBWJNWKBEE-NXEZZACHSA-N
MW230.27 g/mol
LogP1.73
Rot. Bonds2

About trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine

trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine (PubChem CID 96803162) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
PubChem CID96803162
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Nametrans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H14N4O/c13-10-5-1-4-9(10)12-15-11(16-17-12)8-3-2-6-14-7-8/h2-3,6-7,9-10H,1,4-5,13H2/t9-,10-/m1/s1
InChIKeyRDICDBWJNWKBEE-NXEZZACHSA-N
XLogP1.73
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 107917827
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350428
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 100659561
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82624848
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
CID 156611490
(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743994
2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]cyclooctan-1-amine
CID 120892331

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine (CID 96803162) is trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine is N[C@@H]1CCC[C@H]1c1nc(-c2cccnc2)no1.
What is the InChIKey of trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The InChIKey is RDICDBWJNWKBEE-NXEZZACHSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-5-1-4-9(10)12-15-11(16-17-12)8-3-2-6-14-7-8/h2-3,6-7,9-10H,1,4-5,13H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine has a molecular weight of 230.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine is sourced from PubChem (CID 96803162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).