4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol

C14H19N3O2 — CID 133482561

IUPAC4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-10(2)8-12(18)9-15-14-16-13(19-17-14)11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,15,17)
InChIKeyHMROMTVIIIXSJX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds6

About 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol

4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol (PubChem CID 133482561) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
PubChem CID133482561
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-10(2)8-12(18)9-15-14-16-13(19-17-14)11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,15,17)
InChIKeyHMROMTVIIIXSJX-UHFFFAOYSA-N
XLogP2.56
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483445
3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483185
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
CID 133482477
3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
CID 133482297
5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 133482502
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481548
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 133482418
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
CID 122060414
(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol
CID 12569999

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol (CID 133482561) is 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol is CC(C)CC(O)CNc1noc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
The InChIKey is HMROMTVIIIXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)8-12(18)9-15-14-16-13(19-17-14)11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol?
4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 133482561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).