3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile

C18H20FN3O2 — CID 56663495

IUPAC3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1coc(-c2cccc(F)c2)n1)CC1CCCO1
InChIInChI=1S/C18H20FN3O2/c19-15-5-1-4-14(10-15)18-21-16(13-24-18)11-22(8-3-7-20)12-17-6-2-9-23-17/h1,4-5,10,13,17H,2-3,6,8-9,11-12H2
InChIKeyMPRFOJZXLPMBSE-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.38
Rot. Bonds7

About 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile

3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile (PubChem CID 56663495) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
PubChem CID56663495
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1coc(-c2cccc(F)c2)n1)CC1CCCO1
InChIInChI=1S/C18H20FN3O2/c19-15-5-1-4-14(10-15)18-21-16(13-24-18)11-22(8-3-7-20)12-17-6-2-9-23-17/h1,4-5,10,13,17H,2-3,6,8-9,11-12H2
InChIKeyMPRFOJZXLPMBSE-UHFFFAOYSA-N
XLogP3.38
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
CID 56676186
(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 51947143
(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 51947141
N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 28957509
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
2-(3-fluorophenyl)-4-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 46593982
1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 47044695
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921783
(2S)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283755
N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide
CID 34062443

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile (CID 56663495) is 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile is N#CCCN(Cc1coc(-c2cccc(F)c2)n1)CC1CCCO1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile?
The InChIKey is MPRFOJZXLPMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-5-1-4-14(10-15)18-21-16(13-24-18)11-22(8-3-7-20)12-17-6-2-9-23-17/h1,4-5,10,13,17H,2-3,6,8-9,11-12H2.
What are the key properties of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile?
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile has a molecular weight of 329.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 56663495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).