2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile

C16H19N3O2 — CID 79231338

IUPAC2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile
SMILESCc1noc(C)c1C(C)NCc1ccccc1OCC#N
InChIInChI=1S/C16H19N3O2/c1-11(16-12(2)19-21-13(16)3)18-10-14-6-4-5-7-15(14)20-9-8-17/h4-7,11,18H,9-10H2,1-3H3
InChIKeyNNELJHGRYNHCQJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile

2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile (PubChem CID 79231338) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile
PubChem CID79231338
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile
SMILESCc1noc(C)c1C(C)NCc1ccccc1OCC#N
InChIInChI=1S/C16H19N3O2/c1-11(16-12(2)19-21-13(16)3)18-10-14-6-4-5-7-15(14)20-9-8-17/h4-7,11,18H,9-10H2,1-3H3
InChIKeyNNELJHGRYNHCQJ-UHFFFAOYSA-N
XLogP3.04
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
2-[2-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]acetonitrile
CID 81407639
2-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81347276
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
CID 112554882
2-[2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81362252
N-(1,3-benzothiazol-2-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79242623
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
CID 103948779
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 78961504
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881964
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile (CID 79231338) is 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile is Cc1noc(C)c1C(C)NCc1ccccc1OCC#N.
What is the InChIKey of 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile?
The InChIKey is NNELJHGRYNHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(16-12(2)19-21-13(16)3)18-10-14-6-4-5-7-15(14)20-9-8-17/h4-7,11,18H,9-10H2,1-3H3.
What are the key properties of 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile?
2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile has a molecular weight of 285.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 79231338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).