(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine

C16H17FN4O — CID 95218898

IUPAC(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1ccnc1)NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H17FN4O/c1-12(10-21-7-6-18-11-21)19-9-15-8-16(20-22-15)13-2-4-14(17)5-3-13/h2-8,11-12,19H,9-10H2,1H3/t12-/m1/s1
InChIKeyCIZMVUDEEPRZSK-GFCCVEGCSA-N
MW300.34 g/mol
LogP2.86
Rot. Bonds6

About (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine

(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 95218898) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID95218898
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1ccnc1)NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H17FN4O/c1-12(10-21-7-6-18-11-21)19-9-15-8-16(20-22-15)13-2-4-14(17)5-3-13/h2-8,11-12,19H,9-10H2,1H3/t12-/m1/s1
InChIKeyCIZMVUDEEPRZSK-GFCCVEGCSA-N
XLogP2.86
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine with MolForge

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Related Compounds

N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122564163
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122571033
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56897885
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
3-fluoro-4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 61482521
4-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoic acid
CID 107452763

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine (CID 95218898) is (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine is C[C@H](Cn1ccnc1)NCc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is CIZMVUDEEPRZSK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-12(10-21-7-6-18-11-21)19-9-15-8-16(20-22-15)13-2-4-14(17)5-3-13/h2-8,11-12,19H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine?
(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 300.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 95218898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).