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

C13H17N3O2S — CID 114916026

IUPAC4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1csc(-c2nc(CC3CCCCO3)no2)c1N
InChIInChI=1S/C13H17N3O2S/c1-8-7-19-12(11(8)14)13-15-10(16-18-13)6-9-4-2-3-5-17-9/h7,9H,2-6,14H2,1H3
InChIKeyUEDCEOZFHIMOKO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.80
Rot. Bonds3

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

4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 114916026) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID114916026
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1csc(-c2nc(CC3CCCCO3)no2)c1N
InChIInChI=1S/C13H17N3O2S/c1-8-7-19-12(11(8)14)13-15-10(16-18-13)6-9-4-2-3-5-17-9/h7,9H,2-6,14H2,1H3
InChIKeyUEDCEOZFHIMOKO-UHFFFAOYSA-N
XLogP2.80
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915935
5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113391152
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915968
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
4-methyl-2-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915937
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 45208927
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
2-methoxy-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63744295
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 114916026) is 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is Cc1csc(-c2nc(CC3CCCCO3)no2)c1N.
What is the InChIKey of 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is UEDCEOZFHIMOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-7-19-12(11(8)14)13-15-10(16-18-13)6-9-4-2-3-5-17-9/h7,9H,2-6,14H2,1H3.
What are the key properties of 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 279.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 114916026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).