1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C12H17N3O3S — CID 54903426

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1noc(CNCC(O)COCc2cccs2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-14-12(18-15-9)6-13-5-10(16)7-17-8-11-3-2-4-19-11/h2-4,10,13,16H,5-8H2,1H3
InChIKeyQRWKBWRLHYIHGW-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.11
Rot. Bonds8

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 54903426) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID54903426
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1noc(CNCC(O)COCc2cccs2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-14-12(18-15-9)6-13-5-10(16)7-17-8-11-3-2-4-19-11/h2-4,10,13,16H,5-8H2,1H3
InChIKeyQRWKBWRLHYIHGW-UHFFFAOYSA-N
XLogP1.11
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670
1-[(4-methyl-3-pyridinyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 114955607
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61013891
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 106302759
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 54903426) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1noc(CNCC(O)COCc2cccs2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is QRWKBWRLHYIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-14-12(18-15-9)6-13-5-10(16)7-17-8-11-3-2-4-19-11/h2-4,10,13,16H,5-8H2,1H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 283.35 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 54903426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).