2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide

C22H20F2N4O4 — CID 59587436

IUPAC2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1
InChIInChI=1S/C22H20F2N4O4/c23-15-4-1-5-16(24)17(15)20-27-18(19(25)30)21(32-20)26-13-8-6-12(7-9-13)22(31)28-10-2-3-14(28)11-29/h1,4-9,14,26,29H,2-3,10-11H2,(H2,25,30)/t14-/m1/s1
InChIKeyBNPQFYOHAYLZID-CQSZACIVSA-N
MW442.42 g/mol
LogP3.06
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587436) has the molecular formula C22H20F2N4O4 and a molecular weight of 442.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587436
Molecular FormulaC22H20F2N4O4
Molecular Weight442.42 g/mol
Exact Mass442.15
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1
InChIInChI=1S/C22H20F2N4O4/c23-15-4-1-5-16(24)17(15)20-27-18(19(25)30)21(32-20)26-13-8-6-12(7-9-13)22(31)28-10-2-3-14(28)11-29/h1,4-9,14,26,29H,2-3,10-11H2,(H2,25,30)/t14-/m1/s1
InChIKeyBNPQFYOHAYLZID-CQSZACIVSA-N
XLogP3.06
TPSA121.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide (CID 59587436) is 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is BNPQFYOHAYLZID-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20F2N4O4/c23-15-4-1-5-16(24)17(15)20-27-18(19(25)30)21(32-20)26-13-8-6-12(7-9-13)22(31)28-10-2-3-14(28)11-29/h1,4-9,14,26,29H,2-3,10-11H2,(H2,25,30)/t14-/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).