2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide

C18H16F3N5O2 — CID 122696105

IUPAC2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide
SMILESO=C(CNCc1ncco1)NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)13-1-2-15(25-8-13)12-3-4-23-14(7-12)9-26-16(27)10-22-11-17-24-5-6-28-17/h1-8,22H,9-11H2,(H,26,27)
InChIKeyGGJMUFHXJLSDRZ-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.56
Rot. Bonds7

About 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide

2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide (PubChem CID 122696105) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide
PubChem CID122696105
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide
SMILESO=C(CNCc1ncco1)NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)13-1-2-15(25-8-13)12-3-4-23-14(7-12)9-26-16(27)10-22-11-17-24-5-6-28-17/h1-8,22H,9-11H2,(H,26,27)
InChIKeyGGJMUFHXJLSDRZ-UHFFFAOYSA-N
XLogP2.56
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide (CID 122696105) is 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide is O=C(CNCc1ncco1)NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1.
What is the InChIKey of 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide?
The InChIKey is GGJMUFHXJLSDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)13-1-2-15(25-8-13)12-3-4-23-14(7-12)9-26-16(27)10-22-11-17-24-5-6-28-17/h1-8,22H,9-11H2,(H,26,27).
What are the key properties of 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide?
2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide has a molecular weight of 391.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 122696105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).