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

C22H18FN5O2 — CID 176859916

IUPACN-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(C)nc(-c2nccc(NC(=O)c3oc(C)nc3-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H18FN5O2/c1-12-10-13(2)25-17(11-12)21-24-9-8-18(27-21)28-22(29)20-19(26-14(3)30-20)15-4-6-16(23)7-5-15/h4-11H,1-3H3,(H,24,27,28,29)
InChIKeyRDCKTRWPSSWCJQ-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.51
Rot. Bonds4

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

N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 176859916) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID176859916
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(C)nc(-c2nccc(NC(=O)c3oc(C)nc3-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H18FN5O2/c1-12-10-13(2)25-17(11-12)21-24-9-8-18(27-21)28-22(29)20-19(26-14(3)30-20)15-4-6-16(23)7-5-15/h4-11H,1-3H3,(H,24,27,28,29)
InChIKeyRDCKTRWPSSWCJQ-UHFFFAOYSA-N
XLogP4.51
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide (CID 176859916) is N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide is Cc1cc(C)nc(-c2nccc(NC(=O)c3oc(C)nc3-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is RDCKTRWPSSWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-12-10-13(2)25-17(11-12)21-24-9-8-18(27-21)28-22(29)20-19(26-14(3)30-20)15-4-6-16(23)7-5-15/h4-11H,1-3H3,(H,24,27,28,29).
What are the key properties of N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide?
N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).