(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine

C10H17N3O — CID 59361300

IUPAC(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCN[C@H](c1nc(C2CC2)no1)C(C)C
InChIInChI=1S/C10H17N3O/c1-6(2)8(11-3)10-12-9(13-14-10)7-4-5-7/h6-8,11H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyHJFHMWRPLWNYQG-QMMMGPOBSA-N
MW195.27 g/mol
LogP1.86
Rot. Bonds4

About (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 59361300) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID59361300
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCN[C@H](c1nc(C2CC2)no1)C(C)C
InChIInChI=1S/C10H17N3O/c1-6(2)8(11-3)10-12-9(13-14-10)7-4-5-7/h6-8,11H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyHJFHMWRPLWNYQG-QMMMGPOBSA-N
XLogP1.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880207
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
(1R)-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 97335822
trans-(1S,2S)-2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132128
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111505843
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
CID 110933429
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine (CID 59361300) is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine is CN[C@H](c1nc(C2CC2)no1)C(C)C.
What is the InChIKey of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is HJFHMWRPLWNYQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)8(11-3)10-12-9(13-14-10)7-4-5-7/h6-8,11H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine?
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 59361300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).