2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile

C14H15N3O3 — CID 106417937

IUPAC2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)CNCc1ccno1
InChIInChI=1S/C14H15N3O3/c15-7-11-3-1-2-4-14(11)19-10-12(18)8-16-9-13-5-6-17-20-13/h1-6,12,16,18H,8-10H2
InChIKeyCLSOLGCKVBURRW-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.08
Rot. Bonds7

About 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile

2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile (PubChem CID 106417937) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile
PubChem CID106417937
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)CNCc1ccno1
InChIInChI=1S/C14H15N3O3/c15-7-11-3-1-2-4-14(11)19-10-12(18)8-16-9-13-5-6-17-20-13/h1-6,12,16,18H,8-10H2
InChIKeyCLSOLGCKVBURRW-UHFFFAOYSA-N
XLogP1.08
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
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2-[2-hydroxy-3-[(1-methylpyrazol-3-yl)methylamino]propoxy]benzonitrile
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2-[2-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]propoxy]benzonitrile
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2-[3-[(4-bromo-1H-pyrazol-5-yl)methylamino]-2-hydroxypropoxy]benzonitrile
CID 139021072
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
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2-[2-hydroxy-3-(3-methylbut-2-enylamino)propoxy]benzonitrile
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3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938677
2-[2-hydroxy-3-(pent-3-ynylamino)propoxy]benzonitrile
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2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
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2-[3-[2-(diethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile?
The IUPAC name of 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile (CID 106417937) is 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile.
What is the SMILES notation for 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile?
The canonical SMILES for 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile is N#Cc1ccccc1OCC(O)CNCc1ccno1.
What is the InChIKey of 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile?
The InChIKey is CLSOLGCKVBURRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-7-11-3-1-2-4-14(11)19-10-12(18)8-16-9-13-5-6-17-20-13/h1-6,12,16,18H,8-10H2.
What are the key properties of 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile?
2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile has a molecular weight of 273.29 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile is sourced from PubChem (CID 106417937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).