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

C20H13F2N5O2 — CID 176859464

IUPAC4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2ccnc(-c3ccc(F)cn3)n2)o1
InChIInChI=1S/C20H13F2N5O2/c1-11-25-17(12-2-4-13(21)5-3-12)18(29-11)20(28)27-16-8-9-23-19(26-16)15-7-6-14(22)10-24-15/h2-10H,1H3,(H,23,26,27,28)
InChIKeyZJIVZNBYECALGT-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.03
Rot. Bonds4

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

4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 176859464) has the molecular formula C20H13F2N5O2 and a molecular weight of 393.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID176859464
Molecular FormulaC20H13F2N5O2
Molecular Weight393.35 g/mol
Exact Mass393.10
IUPAC Name4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)Nc2ccnc(-c3ccc(F)cn3)n2)o1
InChIInChI=1S/C20H13F2N5O2/c1-11-25-17(12-2-4-13(21)5-3-12)18(29-11)20(28)27-16-8-9-23-19(26-16)15-7-6-14(22)10-24-15/h2-10H,1H3,(H,23,26,27,28)
InChIKeyZJIVZNBYECALGT-UHFFFAOYSA-N
XLogP4.03
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 176859916
4-(4-fluorophenyl)-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 176859167
2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 176859130
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957
N-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 69178255
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 62190613
4-chloro-2-(5-fluoro-2-pyridinyl)pyrimidine
CID 79722033
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511351
N-[5-(5-ethyl-2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-2-fluorobenzamide
CID 118346244
2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859205

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 176859464) is 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)c(C(=O)Nc2ccnc(-c3ccc(F)cn3)n2)o1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZJIVZNBYECALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O2/c1-11-25-17(12-2-4-13(21)5-3-12)18(29-11)20(28)27-16-8-9-23-19(26-16)15-7-6-14(22)10-24-15/h2-10H,1H3,(H,23,26,27,28).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide?
4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 393.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).