2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid

C10H11N3O3S — CID 114182928

IUPAC2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2ncon2)s1
InChIInChI=1S/C10H11N3O3S/c14-10(15)3-7-1-2-8(17-7)4-11-5-9-12-6-16-13-9/h1-2,6,11H,3-5H2,(H,14,15)
InChIKeySHKWUGLCMNVSGW-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.05
Rot. Bonds6

About 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid

2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid (PubChem CID 114182928) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid
PubChem CID114182928
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2ncon2)s1
InChIInChI=1S/C10H11N3O3S/c14-10(15)3-7-1-2-8(17-7)4-11-5-9-12-6-16-13-9/h1-2,6,11H,3-5H2,(H,14,15)
InChIKeySHKWUGLCMNVSGW-UHFFFAOYSA-N
XLogP1.05
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584
2-[5-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 114182789
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82894113
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
2-[5-[(3,3,3-trifluoropropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894882
2-[5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894868
2-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82886489
2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894588
2-[5-[(6-hydroxyhexylamino)methyl]thiophen-2-yl]acetic acid
CID 114008737
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid (CID 114182928) is 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(CNCc2ncon2)s1.
What is the InChIKey of 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
The InChIKey is SHKWUGLCMNVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-10(15)3-7-1-2-8(17-7)4-11-5-9-12-6-16-13-9/h1-2,6,11H,3-5H2,(H,14,15).
What are the key properties of 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid?
2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid has a molecular weight of 253.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 114182928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).