N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C18H18FN3O2S — CID 70753982

IUPACN-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)on1
InChIInChI=1S/C18H18FN3O2S/c1-11(2)7-14-8-16(24-22-14)18(23)20-9-17-21-15(10-25-17)12-3-5-13(19)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,23)
InChIKeyFUPYNBHLPMEVNA-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.07
Rot. Bonds6

About N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70753982) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70753982
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)on1
InChIInChI=1S/C18H18FN3O2S/c1-11(2)7-14-8-16(24-22-14)18(23)20-9-17-21-15(10-25-17)12-3-5-13(19)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,23)
InChIKeyFUPYNBHLPMEVNA-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70753982) is N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)on1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FUPYNBHLPMEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11(2)7-14-8-16(24-22-14)18(23)20-9-17-21-15(10-25-17)12-3-5-13(19)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70753982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).