4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C13H17N3O2S — CID 65329462

IUPAC4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CCOCC3)no2)c1C
InChIInChI=1S/C13H17N3O2S/c1-7-8(2)19-11(14)10(7)13-15-12(16-18-13)9-3-5-17-6-4-9/h9H,3-6,14H2,1-2H3
InChIKeyIJNNOKAFTXGNMO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.89
Rot. Bonds2

About 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 65329462) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID65329462
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CCOCC3)no2)c1C
InChIInChI=1S/C13H17N3O2S/c1-7-8(2)19-11(14)10(7)13-15-12(16-18-13)9-3-5-17-6-4-9/h9H,3-6,14H2,1-2H3
InChIKeyIJNNOKAFTXGNMO-UHFFFAOYSA-N
XLogP2.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
CID 118198992
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 79077443
5-ethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329640
4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329788
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
4,5-difluoro-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329043
3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 65330435
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 116703458
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
CID 118158662

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 65329462) is 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1sc(N)c(-c2nc(C3CCOCC3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is IJNNOKAFTXGNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7-8(2)19-11(14)10(7)13-15-12(16-18-13)9-3-5-17-6-4-9/h9H,3-6,14H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 279.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 65329462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).