2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide

C20H19F2N5O3 — CID 59587416

IUPAC2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESCNCCNC(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C20H19F2N5O3/c1-24-9-10-25-18(29)11-5-7-12(8-6-11)26-20-16(17(23)28)27-19(30-20)15-13(21)3-2-4-14(15)22/h2-8,24,26H,9-10H2,1H3,(H2,23,28)(H,25,29)
InChIKeyAHMNDNNZRGRDKV-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.41
Rot. Bonds8

About 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587416) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587416
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESCNCCNC(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C20H19F2N5O3/c1-24-9-10-25-18(29)11-5-7-12(8-6-11)26-20-16(17(23)28)27-19(30-20)15-13(21)3-2-4-14(15)22/h2-8,24,26H,9-10H2,1H3,(H2,23,28)(H,25,29)
InChIKeyAHMNDNNZRGRDKV-UHFFFAOYSA-N
XLogP2.41
TPSA122.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide (CID 59587416) is 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide is CNCCNC(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is AHMNDNNZRGRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c1-24-9-10-25-18(29)11-5-7-12(8-6-11)26-20-16(17(23)28)27-19(30-20)15-13(21)3-2-4-14(15)22/h2-8,24,26H,9-10H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.41, 8 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-[2-(methylamino)ethylcarbamoyl]anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).