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

C14H19N3O2 — CID 81413545

IUPAC2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H19N3O2/c1-3-14(2,9-18)8-15-12-6-4-5-11(7-12)13-17-16-10-19-13/h4-7,10,15,18H,3,8-9H2,1-2H3
InChIKeyIJRIOGAXSFRSGP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds6

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

2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol (PubChem CID 81413545) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
PubChem CID81413545
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H19N3O2/c1-3-14(2,9-18)8-15-12-6-4-5-11(7-12)13-17-16-10-19-13/h4-7,10,15,18H,3,8-9H2,1-2H3
InChIKeyIJRIOGAXSFRSGP-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

N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 106675096
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66133774
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol (CID 81413545) is 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol is CCC(C)(CO)CNc1cccc(-c2nnco2)c1.
What is the InChIKey of 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
The InChIKey is IJRIOGAXSFRSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-14(2,9-18)8-15-12-6-4-5-11(7-12)13-17-16-10-19-13/h4-7,10,15,18H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol?
2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-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 2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol is sourced from PubChem (CID 81413545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).