5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C18H19F3N6O — CID 56754185

IUPAC5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nnnn1CCCN1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C18H19F3N6O/c1-12-22-24-25-27(12)9-2-8-26-10-7-16-15(11-26)17(23-28-16)13-3-5-14(6-4-13)18(19,20)21/h3-6H,2,7-11H2,1H3
InChIKeyIZQAONATCOYYIW-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.10
Rot. Bonds5

About 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56754185) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56754185
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1nnnn1CCCN1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C18H19F3N6O/c1-12-22-24-25-27(12)9-2-8-26-10-7-16-15(11-26)17(23-28-16)13-3-5-14(6-4-13)18(19,20)21/h3-6H,2,7-11H2,1H3
InChIKeyIZQAONATCOYYIW-UHFFFAOYSA-N
XLogP3.10
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56754185) is 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1nnnn1CCCN1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1.
What is the InChIKey of 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is IZQAONATCOYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-12-22-24-25-27(12)9-2-8-26-10-7-16-15(11-26)17(23-28-16)13-3-5-14(6-4-13)18(19,20)21/h3-6H,2,7-11H2,1H3.
What are the key properties of 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 392.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-methyltetrazol-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56754185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).