4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline

C18H19N3O — CID 166359746

IUPAC4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline
SMILESCC(CCc1cccnc1)Nc1ccc(-c2ccon2)cc1
InChIInChI=1S/C18H19N3O/c1-14(4-5-15-3-2-11-19-13-15)20-17-8-6-16(7-9-17)18-10-12-22-21-18/h2-3,6-14,20H,4-5H2,1H3
InChIKeyGIABSHYMGBKBFI-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.17
Rot. Bonds6

About 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline

4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline (PubChem CID 166359746) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline
PubChem CID166359746
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline
SMILESCC(CCc1cccnc1)Nc1ccc(-c2ccon2)cc1
InChIInChI=1S/C18H19N3O/c1-14(4-5-15-3-2-11-19-13-15)20-17-8-6-16(7-9-17)18-10-12-22-21-18/h2-3,6-14,20H,4-5H2,1H3
InChIKeyGIABSHYMGBKBFI-UHFFFAOYSA-N
XLogP4.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline 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

4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
N-(4-phenylbutan-2-yl)-4-(4-phenylphenyl)pyrimidin-2-amine
CID 171989250
3-(5-methylhexyl)pyridine
CID 54316004
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
(6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 105294256
3-(14-methylpentadecyl)pyridine
CID 19697272
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 99933009
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline?
The IUPAC name of 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline (CID 166359746) is 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline.
What is the SMILES notation for 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline?
The canonical SMILES for 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline is CC(CCc1cccnc1)Nc1ccc(-c2ccon2)cc1.
What is the InChIKey of 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline?
The InChIKey is GIABSHYMGBKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(4-5-15-3-2-11-19-13-15)20-17-8-6-16(7-9-17)18-10-12-22-21-18/h2-3,6-14,20H,4-5H2,1H3.
What are the key properties of 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline?
4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline has a molecular weight of 293.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-yl)-N-(4-pyridin-3-ylbutan-2-yl)aniline is sourced from PubChem (CID 166359746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).