3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline

C15H18N2O2 — CID 115929008

IUPAC3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCC(Nc1cccc(-c2cnco2)c1)C1CCOC1
InChIInChI=1S/C15H18N2O2/c1-11(13-5-6-18-9-13)17-14-4-2-3-12(7-14)15-8-16-10-19-15/h2-4,7-8,10-11,13,17H,5-6,9H2,1H3
InChIKeyHLNGUDNNGAORFL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.18
Rot. Bonds4

About 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline

3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline (PubChem CID 115929008) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline
PubChem CID115929008
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCC(Nc1cccc(-c2cnco2)c1)C1CCOC1
InChIInChI=1S/C15H18N2O2/c1-11(13-5-6-18-9-13)17-14-4-2-3-12(7-14)15-8-16-10-19-15/h2-4,7-8,10-11,13,17H,5-6,9H2,1H3
InChIKeyHLNGUDNNGAORFL-UHFFFAOYSA-N
XLogP3.18
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline
CID 63453530
N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 124600539
N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 54864968
N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865172
N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865092
N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 60935318
5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
CID 115922851
3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089304
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
N-[1-(4-bromothiophen-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 107167802
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline?
The IUPAC name of 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline (CID 115929008) is 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline.
What is the SMILES notation for 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline?
The canonical SMILES for 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline is CC(Nc1cccc(-c2cnco2)c1)C1CCOC1.
What is the InChIKey of 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline?
The InChIKey is HLNGUDNNGAORFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(13-5-6-18-9-13)17-14-4-2-3-12(7-14)15-8-16-10-19-15/h2-4,7-8,10-11,13,17H,5-6,9H2,1H3.
What are the key properties of 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline?
3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline has a molecular weight of 258.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline is sourced from PubChem (CID 115929008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).