1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea

C14H15F3N4O3 — CID 156738022

IUPAC1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2ncco2)cn1
InChIInChI=1S/C14H15F3N4O3/c1-2-21(8-10(22)14(15,16)17)13(23)20-11-4-3-9(7-19-11)12-18-5-6-24-12/h3-7,10,22H,2,8H2,1H3,(H,19,20,23)/t10-/m1/s1
InChIKeyDZSYFVPCDJXKNZ-SNVBAGLBSA-N
MW344.29 g/mol
LogP2.51
Rot. Bonds5

About 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea

1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea (PubChem CID 156738022) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
PubChem CID156738022
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2ncco2)cn1
InChIInChI=1S/C14H15F3N4O3/c1-2-21(8-10(22)14(15,16)17)13(23)20-11-4-3-9(7-19-11)12-18-5-6-24-12/h3-7,10,22H,2,8H2,1H3,(H,19,20,23)/t10-/m1/s1
InChIKeyDZSYFVPCDJXKNZ-SNVBAGLBSA-N
XLogP2.51
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The IUPAC name of 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea (CID 156738022) is 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The canonical SMILES for 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea is CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2ncco2)cn1.
What is the InChIKey of 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The InChIKey is DZSYFVPCDJXKNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-2-21(8-10(22)14(15,16)17)13(23)20-11-4-3-9(7-19-11)12-18-5-6-24-12/h3-7,10,22H,2,8H2,1H3,(H,19,20,23)/t10-/m1/s1.
What are the key properties of 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea has a molecular weight of 344.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea is sourced from PubChem (CID 156738022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).