N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C20H17FN4O2S — CID 51125898

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C20H17FN4O2S/c1-12-18(24-20(27-12)17-4-3-9-28-17)19(26)23-11-14-5-6-16(15(21)10-14)25-8-7-22-13(25)2/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyXFHYXSZWMFIBPM-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.27
Rot. Bonds5

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 51125898) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID51125898
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C20H17FN4O2S/c1-12-18(24-20(27-12)17-4-3-9-28-17)19(26)23-11-14-5-6-16(15(21)10-14)25-8-7-22-13(25)2/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyXFHYXSZWMFIBPM-UHFFFAOYSA-N
XLogP4.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 51125898) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is XFHYXSZWMFIBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-12-18(24-20(27-12)17-4-3-9-28-17)19(26)23-11-14-5-6-16(15(21)10-14)25-8-7-22-13(25)2/h3-10H,11H2,1-2H3,(H,23,26).
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51125898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).