N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide

C16H15F3N6O2 — CID 71791532

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)on1
InChIInChI=1S/C16H15F3N6O2/c1-15(2,3)11-8-12(27-23-11)20-14(26)13-21-24-25(22-13)10-6-4-9(5-7-10)16(17,18)19/h4-8H,1-3H3,(H,20,26)
InChIKeyFOGSMLVQAWKXLV-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.22
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide (PubChem CID 71791532) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
PubChem CID71791532
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)on1
InChIInChI=1S/C16H15F3N6O2/c1-15(2,3)11-8-12(27-23-11)20-14(26)13-21-24-25(22-13)10-6-4-9(5-7-10)16(17,18)19/h4-8H,1-3H3,(H,20,26)
InChIKeyFOGSMLVQAWKXLV-UHFFFAOYSA-N
XLogP3.22
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide (CID 71791532) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide is CC(C)(C)c1cc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is FOGSMLVQAWKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c1-15(2,3)11-8-12(27-23-11)20-14(26)13-21-24-25(22-13)10-6-4-9(5-7-10)16(17,18)19/h4-8H,1-3H3,(H,20,26).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).