3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol

C14H25N3O2 — CID 111107308

IUPAC3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol
SMILESCC(C)(C)CN(CCCO)Cc1nnc(C2CC2)o1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)10-17(7-4-8-18)9-12-15-16-13(19-12)11-5-6-11/h11,18H,4-10H2,1-3H3
InChIKeyWLCOPKYSQLFRBJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.18
Rot. Bonds7

About 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol (PubChem CID 111107308) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol
PubChem CID111107308
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol
SMILESCC(C)(C)CN(CCCO)Cc1nnc(C2CC2)o1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)10-17(7-4-8-18)9-12-15-16-13(19-12)11-5-6-11/h11,18H,4-10H2,1-3H3
InChIKeyWLCOPKYSQLFRBJ-UHFFFAOYSA-N
XLogP2.18
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol with MolForge

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Related Compounds

4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
CID 111458836
2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 111487823
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022255
2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol
CID 111544022
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
CID 111488398
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
CID 71937266
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
3-[(1S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
CID 124752843
methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 66677787
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 62015618
4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62718559

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol (CID 111107308) is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol is CC(C)(C)CN(CCCO)Cc1nnc(C2CC2)o1.
What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol?
The InChIKey is WLCOPKYSQLFRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)10-17(7-4-8-18)9-12-15-16-13(19-12)11-5-6-11/h11,18H,4-10H2,1-3H3.
What are the key properties of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol?
3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol is sourced from PubChem (CID 111107308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).