2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol

C15H21N3O2 — CID 114286965

IUPAC2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccccc1-c1nnc(C)o1
InChIInChI=1S/C15H21N3O2/c1-4-15(3,10-19)9-16-13-8-6-5-7-12(13)14-18-17-11(2)20-14/h5-8,16,19H,4,9-10H2,1-3H3
InChIKeyQWWJQHNFMXQLHZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.87
Rot. Bonds6

About 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol

2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol (PubChem CID 114286965) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
PubChem CID114286965
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccccc1-c1nnc(C)o1
InChIInChI=1S/C15H21N3O2/c1-4-15(3,10-19)9-16-13-8-6-5-7-12(13)14-18-17-11(2)20-14/h5-8,16,19H,4,9-10H2,1-3H3
InChIKeyQWWJQHNFMXQLHZ-UHFFFAOYSA-N
XLogP2.87
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol with MolForge

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Related Compounds

N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675457
N-[(1-ethylpyrrol-3-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66399672
N-[(3-ethylimidazol-4-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66133781
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43675535
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 61155830
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 43700063
N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 115278446
2-[(2-ethylsulfanylanilino)methyl]-2-methylbutan-1-ol
CID 81419212
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278
[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanol
CID 56709300
2-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]hexanamide
CID 60852236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol (CID 114286965) is 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol is CCC(C)(CO)CNc1ccccc1-c1nnc(C)o1.
What is the InChIKey of 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
The InChIKey is QWWJQHNFMXQLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(3,10-19)9-16-13-8-6-5-7-12(13)14-18-17-11(2)20-14/h5-8,16,19H,4,9-10H2,1-3H3.
What are the key properties of 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol is sourced from PubChem (CID 114286965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).