4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C15H17N3OS — CID 83192101

IUPAC4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C2(c3ccccc3)CC2)no1
InChIInChI=1S/C15H17N3OS/c16-12-9-20-8-11(12)13-17-14(18-19-13)15(6-7-15)10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2
InChIKeyQZRGUHWUODGVPQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.31
Rot. Bonds3

About 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83192101) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83192101
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C2(c3ccccc3)CC2)no1
InChIInChI=1S/C15H17N3OS/c16-12-9-20-8-11(12)13-17-14(18-19-13)15(6-7-15)10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2
InChIKeyQZRGUHWUODGVPQ-UHFFFAOYSA-N
XLogP2.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
(1S,5S,6R)-3-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine
CID 154807395
4-[3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 106602068
(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912280
5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 63080887
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200894
4-[(1R,3R)-2,2-dimethyl-3-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448492
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 63078828
[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 55181346

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83192101) is 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is NC1CSCC1c1nc(C2(c3ccccc3)CC2)no1.
What is the InChIKey of 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is QZRGUHWUODGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-12-9-20-8-11(12)13-17-14(18-19-13)15(6-7-15)10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2.
What are the key properties of 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 287.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).