2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile

C20H18FN3O — CID 98004987

IUPAC2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCC[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1
InChIInChI=1S/C20H18FN3O/c1-2-14(15-7-4-3-5-8-15)13-23-20-18(12-22)24-19(25-20)16-9-6-10-17(21)11-16/h3-11,14,23H,2,13H2,1H3/t14-/m0/s1
InChIKeyZEQNPDLQVGVNHR-AWEZNQCLSA-N
MW335.38 g/mol
LogP4.96
Rot. Bonds6

About 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile

2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 98004987) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID98004987
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCC[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1
InChIInChI=1S/C20H18FN3O/c1-2-14(15-7-4-3-5-8-15)13-23-20-18(12-22)24-19(25-20)16-9-6-10-17(21)11-16/h3-11,14,23H,2,13H2,1H3/t14-/m0/s1
InChIKeyZEQNPDLQVGVNHR-AWEZNQCLSA-N
XLogP4.96
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-(4-fluorophenyl)pentyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 100829600
5-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 35342753
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300371
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300372
2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 18822680
2-(3-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4646747
2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 943094
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[2-(diethylamino)-2-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46299768
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 51064692

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile (CID 98004987) is 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile is CC[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is ZEQNPDLQVGVNHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-2-14(15-7-4-3-5-8-15)13-23-20-18(12-22)24-19(25-20)16-9-6-10-17(21)11-16/h3-11,14,23H,2,13H2,1H3/t14-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile?
2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 335.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[[(2R)-2-phenylbutyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 98004987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).