(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine

C13H19N5O2 — CID 97335823

IUPAC(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCc1noc(CN[C@H](c2nc(C3CC3)no2)C(C)C)n1
InChIInChI=1S/C13H19N5O2/c1-7(2)11(14-6-10-15-8(3)17-19-10)13-16-12(18-20-13)9-4-5-9/h7,9,11,14H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyCDEZAULVWAXZQK-NSHDSACASA-N
MW277.33 g/mol
LogP2.13
Rot. Bonds6

About (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (PubChem CID 97335823) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
PubChem CID97335823
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCc1noc(CN[C@H](c2nc(C3CC3)no2)C(C)C)n1
InChIInChI=1S/C13H19N5O2/c1-7(2)11(14-6-10-15-8(3)17-19-10)13-16-12(18-20-13)9-4-5-9/h7,9,11,14H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyCDEZAULVWAXZQK-NSHDSACASA-N
XLogP2.13
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 53537955
1-(cyclopropylmethyl)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 53538215
5-Cyclopropyl-3-[[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53557683
5-Cyclopropyl-3-[[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53558681
3-Cyclopropyl-5-[1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53558706
3-Cyclopropyl-5-[1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53558719
3-Cyclopropyl-5-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53562507
3-Cyclopropyl-5-[1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53564735
5-Cyclopropyl-3-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566941
3-Cyclopropyl-5-[1-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53594804
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 53595799
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 53598064

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (CID 97335823) is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is Cc1noc(CN[C@H](c2nc(C3CC3)no2)C(C)C)n1.
What is the InChIKey of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is CDEZAULVWAXZQK-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O2/c1-7(2)11(14-6-10-15-8(3)17-19-10)13-16-12(18-20-13)9-4-5-9/h7,9,11,14H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 97335823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).