[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone

C18H16F3N5O2 — CID 170504037

IUPAC[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
SMILESO=C(c1n[nH]c(C(F)(F)F)n1)N1CCc2oc(CCc3ccccc3)nc2C1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)17-23-15(24-25-17)16(27)26-9-8-13-12(10-26)22-14(28-13)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,23,24,25)
InChIKeyMYXHXCZZFMPYKG-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.80
Rot. Bonds4

About [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone

[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone (PubChem CID 170504037) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
PubChem CID170504037
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
SMILESO=C(c1n[nH]c(C(F)(F)F)n1)N1CCc2oc(CCc3ccccc3)nc2C1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)17-23-15(24-25-17)16(27)26-9-8-13-12(10-26)22-14(28-13)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,23,24,25)
InChIKeyMYXHXCZZFMPYKG-UHFFFAOYSA-N
XLogP2.80
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
The IUPAC name of [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone (CID 170504037) is [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone is O=C(c1n[nH]c(C(F)(F)F)n1)N1CCc2oc(CCc3ccccc3)nc2C1.
What is the InChIKey of [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
The InChIKey is MYXHXCZZFMPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)17-23-15(24-25-17)16(27)26-9-8-13-12(10-26)22-14(28-13)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,23,24,25).
What are the key properties of [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone?
[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone has a molecular weight of 391.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 170504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).