5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one

C10H13N3O3S — CID 175515985

IUPAC5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1ccsc1NCC(O)Cc1n[nH]c(=O)o1
InChIInChI=1S/C10H13N3O3S/c1-6-2-3-17-9(6)11-5-7(14)4-8-12-13-10(15)16-8/h2-3,7,11,14H,4-5H2,1H3,(H,13,15)
InChIKeyFBDXUUWINBOACD-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.75
Rot. Bonds5

About 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one

5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 175515985) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID175515985
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1ccsc1NCC(O)Cc1n[nH]c(=O)o1
InChIInChI=1S/C10H13N3O3S/c1-6-2-3-17-9(6)11-5-7(14)4-8-12-13-10(15)16-8/h2-3,7,11,14H,4-5H2,1H3,(H,13,15)
InChIKeyFBDXUUWINBOACD-UHFFFAOYSA-N
XLogP0.75
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

3-[(3-methylthiophen-2-yl)amino]propane-1,2-diol
CID 115121947
methyl 4-hydroxy-5-[(3-methylthiophen-2-yl)amino]pentanoate
CID 115123526
methyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115232729
5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one
CID 24950200
5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one
CID 58260871
[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)thiophen-3-yl]carbamic acid
CID 18445943
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254
2-[(3-methylthiophen-2-yl)amino]ethanethiol
CID 115223746
(E)-4-[(3-methylthiophen-2-yl)amino]but-2-enoic acid
CID 115236946
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
CID 81128699

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one (CID 175515985) is 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one is Cc1ccsc1NCC(O)Cc1n[nH]c(=O)o1.
What is the InChIKey of 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is FBDXUUWINBOACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-2-3-17-9(6)11-5-7(14)4-8-12-13-10(15)16-8/h2-3,7,11,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 255.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-[(3-methylthiophen-2-yl)amino]propyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 175515985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).