1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

C12H15N3O3S — CID 62268318

IUPAC1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(O)COc2cccc(N)c2)o1
InChIInChI=1S/C12H15N3O3S/c1-8-14-15-12(18-8)19-7-10(16)6-17-11-4-2-3-9(13)5-11/h2-5,10,16H,6-7,13H2,1H3
InChIKeyOPMJWSOYDGFPFO-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.49
Rot. Bonds6

About 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 62268318) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID62268318
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(O)COc2cccc(N)c2)o1
InChIInChI=1S/C12H15N3O3S/c1-8-14-15-12(18-8)19-7-10(16)6-17-11-4-2-3-9(13)5-11/h2-5,10,16H,6-7,13H2,1H3
InChIKeyOPMJWSOYDGFPFO-UHFFFAOYSA-N
XLogP1.49
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-Nitrophenoxy)methyl]-5-propylsulfanyl-1,3,4-oxadiazole
CID 56968608
N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2456150
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 3308001
N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4209742
3-[(5-Methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
CID 39240881
3-[3-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]aniline
CID 55053590
1-(2-Aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 55055502
2-[2-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]aniline
CID 55136256
2-(Methylsulfanylmethyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 60457065
3-[3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]aniline
CID 60874843
3-[2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]aniline
CID 60877701
3-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
CID 61035881

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (CID 62268318) is 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SCC(O)COc2cccc(N)c2)o1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is OPMJWSOYDGFPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-14-15-12(18-8)19-7-10(16)6-17-11-4-2-3-9(13)5-11/h2-5,10,16H,6-7,13H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 281.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 62268318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).