2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide

C21H19F2N5O3 — CID 59587420

IUPAC2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C21H19F2N5O3/c22-14-2-1-3-15(23)16(14)20-28-17(18(24)29)21(31-20)27-12-6-4-11(5-7-12)19(30)26-13-8-9-25-10-13/h1-7,13,25,27H,8-10H2,(H2,24,29)(H,26,30)/t13-/m1/s1
InChIKeyYJZMMYKLRRTLJE-CYBMUJFWSA-N
MW427.41 g/mol
LogP2.55
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587420) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587420
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C21H19F2N5O3/c22-14-2-1-3-15(23)16(14)20-28-17(18(24)29)21(31-20)27-12-6-4-11(5-7-12)19(30)26-13-8-9-25-10-13/h1-7,13,25,27H,8-10H2,(H2,24,29)(H,26,30)/t13-/m1/s1
InChIKeyYJZMMYKLRRTLJE-CYBMUJFWSA-N
XLogP2.55
TPSA122.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide (CID 59587420) is 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)N[C@@H]2CCNC2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is YJZMMYKLRRTLJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c22-14-2-1-3-15(23)16(14)20-28-17(18(24)29)21(31-20)27-12-6-4-11(5-7-12)19(30)26-13-8-9-25-10-13/h1-7,13,25,27H,8-10H2,(H2,24,29)(H,26,30)/t13-/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-[[(3R)-pyrrolidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).