5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C11H10ClF3N4O2 — CID 2765101

IUPAC5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H10ClF3N4O2/c12-7-1-5(11(13,14)15)3-17-10(7)18-4-6-2-8(9(16)20)19-21-6/h1,3,6H,2,4H2,(H2,16,20)(H,17,18)
InChIKeyXUADYWSGILESRB-UHFFFAOYSA-N
MW322.67 g/mol
LogP1.80
Rot. Bonds4

About 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 2765101) has the molecular formula C11H10ClF3N4O2 and a molecular weight of 322.67 g/mol. Its IUPAC name is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID2765101
Molecular FormulaC11H10ClF3N4O2
Molecular Weight322.67 g/mol
Exact Mass322.04
IUPAC Name5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H10ClF3N4O2/c12-7-1-5(11(13,14)15)3-17-10(7)18-4-6-2-8(9(16)20)19-21-6/h1,3,6H,2,4H2,(H2,16,20)(H,17,18)
InChIKeyXUADYWSGILESRB-UHFFFAOYSA-N
XLogP1.80
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 2765101) is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is NC(=O)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is XUADYWSGILESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O2/c12-7-1-5(11(13,14)15)3-17-10(7)18-4-6-2-8(9(16)20)19-21-6/h1,3,6H,2,4H2,(H2,16,20)(H,17,18).
What are the key properties of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 322.67 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2765101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).