4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide

C19H15FN6O2 — CID 8996570

IUPAC4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide
SMILESCc1c(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c1-11-16(24-28-17(11)12-6-8-15(20)9-7-12)10-26-23-19(22-25-26)14-4-2-13(3-5-14)18(21)27/h2-9H,10H2,1H3,(H2,21,27)
InChIKeyQNGVSWWWDHYTAV-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.59
Rot. Bonds5

About 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide

4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide (PubChem CID 8996570) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide
PubChem CID8996570
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide
SMILESCc1c(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)noc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c1-11-16(24-28-17(11)12-6-8-15(20)9-7-12)10-26-23-19(22-25-26)14-4-2-13(3-5-14)18(21)27/h2-9H,10H2,1H3,(H2,21,27)
InChIKeyQNGVSWWWDHYTAV-UHFFFAOYSA-N
XLogP2.59
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide (CID 8996570) is 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide is Cc1c(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)noc1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide?
The InChIKey is QNGVSWWWDHYTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-11-16(24-28-17(11)12-6-8-15(20)9-7-12)10-26-23-19(22-25-26)14-4-2-13(3-5-14)18(21)27/h2-9H,10H2,1H3,(H2,21,27).
What are the key properties of 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide?
4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide has a molecular weight of 378.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 8996570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).