1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol

C9H16ClN3O3 — CID 106957420

IUPAC1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nnc(C(C)Cl)o1
InChIInChI=1S/C9H16ClN3O3/c1-6(10)8-11-12-9(16-8)13(2)4-7(14)5-15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyZAVTWMGCAMVWAW-UHFFFAOYSA-N
MW249.70 g/mol
LogP0.81
Rot. Bonds6

About 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol

1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 106957420) has the molecular formula C9H16ClN3O3 and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID106957420
Molecular FormulaC9H16ClN3O3
Molecular Weight249.70 g/mol
Exact Mass249.09
IUPAC Name1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nnc(C(C)Cl)o1
InChIInChI=1S/C9H16ClN3O3/c1-6(10)8-11-12-9(16-8)13(2)4-7(14)5-15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyZAVTWMGCAMVWAW-UHFFFAOYSA-N
XLogP0.81
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
CID 106957421
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106956989
3-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958613
N,2-dimethyl-3-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106967445
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 63729834
1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 75443197
N-ethyl-N-(1-methoxypropan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969951
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
1-(4-amino-2,6-difluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 54993188
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol (CID 106957420) is 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nnc(C(C)Cl)o1.
What is the InChIKey of 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is ZAVTWMGCAMVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3/c1-6(10)8-11-12-9(16-8)13(2)4-7(14)5-15-3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 249.70 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 106957420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).