methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate

C18H17FN2O3S — CID 166339673

IUPACmethyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C(Cc1cccs1)NCc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C18H17FN2O3S/c1-23-18(22)15(9-14-6-3-7-25-14)20-11-17-21-10-16(24-17)12-4-2-5-13(19)8-12/h2-8,10,15,20H,9,11H2,1H3
InChIKeyGKSHSMKVGUHSJN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.42
Rot. Bonds7

About methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate

methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate (PubChem CID 166339673) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate
PubChem CID166339673
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Namemethyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C(Cc1cccs1)NCc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C18H17FN2O3S/c1-23-18(22)15(9-14-6-3-7-25-14)20-11-17-21-10-16(24-17)12-4-2-5-13(19)8-12/h2-8,10,15,20H,9,11H2,1H3
InChIKeyGKSHSMKVGUHSJN-UHFFFAOYSA-N
XLogP3.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325
methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate
CID 99785571
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864461
(1R)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864475
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
CID 117246264
7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one
CID 99817913

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate (CID 166339673) is methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate is COC(=O)C(Cc1cccs1)NCc1ncc(-c2cccc(F)c2)o1.
What is the InChIKey of methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is GKSHSMKVGUHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-23-18(22)15(9-14-6-3-7-25-14)20-11-17-21-10-16(24-17)12-4-2-5-13(19)8-12/h2-8,10,15,20H,9,11H2,1H3.
What are the key properties of methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate?
methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 360.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 166339673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).