N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

C15H13F3N6O2 — CID 46583255

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)no1
InChIInChI=1S/C15H13F3N6O2/c1-8-6-12(22-26-8)19-14(25)9(2)24-21-13(20-23-24)10-4-3-5-11(7-10)15(16,17)18/h3-7,9H,1-2H3,(H,19,22,25)
InChIKeyHNQKZTAUHOAJDY-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.86
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (PubChem CID 46583255) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
PubChem CID46583255
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)no1
InChIInChI=1S/C15H13F3N6O2/c1-8-6-12(22-26-8)19-14(25)9(2)24-21-13(20-23-24)10-4-3-5-11(7-10)15(16,17)18/h3-7,9H,1-2H3,(H,19,22,25)
InChIKeyHNQKZTAUHOAJDY-UHFFFAOYSA-N
XLogP2.86
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (CID 46583255) is N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is Cc1cc(NC(=O)C(C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The InChIKey is HNQKZTAUHOAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c1-8-6-12(22-26-8)19-14(25)9(2)24-21-13(20-23-24)10-4-3-5-11(7-10)15(16,17)18/h3-7,9H,1-2H3,(H,19,22,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide has a molecular weight of 366.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 46583255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).