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

C14H14ClF3N4O2 — CID 3719374

IUPAC5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC1)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H14ClF3N4O2/c15-10-3-7(14(16,17)18)5-19-12(10)20-6-9-4-11(22-24-9)13(23)21-8-1-2-8/h3,5,8-9H,1-2,4,6H2,(H,19,20)(H,21,23)
InChIKeyCLKZQDXXVOOXTH-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.59
Rot. Bonds5

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

5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 3719374) has the molecular formula C14H14ClF3N4O2 and a molecular weight of 362.74 g/mol. Its IUPAC name is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID3719374
Molecular FormulaC14H14ClF3N4O2
Molecular Weight362.74 g/mol
Exact Mass362.08
IUPAC Name5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC1)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H14ClF3N4O2/c15-10-3-7(14(16,17)18)5-19-12(10)20-6-9-4-11(22-24-9)13(23)21-8-1-2-8/h3,5,8-9H,1-2,4,6H2,(H,19,20)(H,21,23)
InChIKeyCLKZQDXXVOOXTH-UHFFFAOYSA-N
XLogP2.59
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.59
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]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 3719374) is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NC1CC1)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is CLKZQDXXVOOXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O2/c15-10-3-7(14(16,17)18)5-19-12(10)20-6-9-4-11(22-24-9)13(23)21-8-1-2-8/h3,5,8-9H,1-2,4,6H2,(H,19,20)(H,21,23).
What are the key properties of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 362.74 g/mol, XLogP of 2.59, 5 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]-N-cyclopropyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3719374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).