N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H13FN4O2S — CID 122263036

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C19H13FN4O2S/c20-13-5-3-12(4-6-13)15-8-14(22-11-23-15)10-21-19(25)16-9-17(26-24-16)18-2-1-7-27-18/h1-9,11H,10H2,(H,21,25)
InChIKeyBWPHWHPZSDLXIX-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.93
Rot. Bonds5

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 122263036) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID122263036
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C19H13FN4O2S/c20-13-5-3-12(4-6-13)15-8-14(22-11-23-15)10-21-19(25)16-9-17(26-24-16)18-2-1-7-27-18/h1-9,11H,10H2,(H,21,25)
InChIKeyBWPHWHPZSDLXIX-UHFFFAOYSA-N
XLogP3.93
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122262928
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
CID 122263018
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide;N-(2-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-propyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 159899323
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 122263036) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is BWPHWHPZSDLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c20-13-5-3-12(4-6-13)15-8-14(22-11-23-15)10-21-19(25)16-9-17(26-24-16)18-2-1-7-27-18/h1-9,11H,10H2,(H,21,25).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122263036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).