[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C15H16ClF3N4O3 — CID 2765114

IUPAC[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1)N1CCOCC1
InChIInChI=1S/C15H16ClF3N4O3/c16-11-5-9(15(17,18)19)7-20-13(11)21-8-10-6-12(22-26-10)14(24)23-1-3-25-4-2-23/h5,7,10H,1-4,6,8H2,(H,20,21)
InChIKeyIKYKIPFENLABSR-UHFFFAOYSA-N
MW392.77 g/mol
LogP2.17
Rot. Bonds4

About [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 2765114) has the molecular formula C15H16ClF3N4O3 and a molecular weight of 392.77 g/mol. Its IUPAC name is [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID2765114
Molecular FormulaC15H16ClF3N4O3
Molecular Weight392.77 g/mol
Exact Mass392.09
IUPAC Name[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1)N1CCOCC1
InChIInChI=1S/C15H16ClF3N4O3/c16-11-5-9(15(17,18)19)7-20-13(11)21-8-10-6-12(22-26-10)14(24)23-1-3-25-4-2-23/h5,7,10H,1-4,6,8H2,(H,20,21)
InChIKeyIKYKIPFENLABSR-UHFFFAOYSA-N
XLogP2.17
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 2765114) is [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1)N1CCOCC1.
What is the InChIKey of [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IKYKIPFENLABSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O3/c16-11-5-9(15(17,18)19)7-20-13(11)21-8-10-6-12(22-26-10)14(24)23-1-3-25-4-2-23/h5,7,10H,1-4,6,8H2,(H,20,21).
What are the key properties of [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 392.77 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2765114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).