(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

C15H19N5O2 — CID 95191455

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCc2noc(-c3ccco3)n2)n1
InChIInChI=1S/C15H19N5O2/c1-10-7-12(3)20(18-10)9-11(2)16-8-14-17-15(22-19-14)13-5-4-6-21-13/h4-7,11,16H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyHGOVZEZYHAWRBQ-LLVKDONJSA-N
MW301.35 g/mol
LogP2.32
Rot. Bonds6

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 95191455) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID95191455
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCc2noc(-c3ccco3)n2)n1
InChIInChI=1S/C15H19N5O2/c1-10-7-12(3)20(18-10)9-11(2)16-8-14-17-15(22-19-14)13-5-4-6-21-13/h4-7,11,16H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyHGOVZEZYHAWRBQ-LLVKDONJSA-N
XLogP2.32
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 50973647
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 134711922
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
1-(3,4-dimethylphenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 138006353
N-[[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 66126507
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 95213205
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 51953887
N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
CID 4901004
(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 95196963

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 95191455) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is Cc1cc(C)n(C[C@@H](C)NCc2noc(-c3ccco3)n2)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is HGOVZEZYHAWRBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-7-12(3)20(18-10)9-11(2)16-8-14-17-15(22-19-14)13-5-4-6-21-13/h4-7,11,16H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 301.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 95191455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).