4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one

C18H15F3N6O2 — CID 135372049

IUPAC4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CO1
InChIInChI=1S/C18H15F3N6O2/c19-18(20,21)11-5-7-12(8-6-11)22-15-4-2-1-3-14(15)16-24-26-27(25-16)9-13-10-29-17(28)23-13/h1-8,13,22H,9-10H2,(H,23,28)
InChIKeyYYECSHZZSFKYBS-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.21
Rot. Bonds5

About 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one

4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 135372049) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID135372049
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CO1
InChIInChI=1S/C18H15F3N6O2/c19-18(20,21)11-5-7-12(8-6-11)22-15-4-2-1-3-14(15)16-24-26-27(25-16)9-13-10-29-17(28)23-13/h1-8,13,22H,9-10H2,(H,23,28)
InChIKeyYYECSHZZSFKYBS-UHFFFAOYSA-N
XLogP3.21
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-((S)-3-{3-Fluoro-4-[(Z)-2-fluoro-2-(2-methyl-2H-tetrazol-5-yl)-vinyl]-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10177664
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethylurea
CID 135372057
2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372222
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 135372264
4-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one
CID 135372271
2-[2-(1,3-dioxan-5-yl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372332
2-[2-[(2R,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372342
N-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 135372350
2-[2-[(2S,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372356

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one (CID 135372049) is 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CO1.
What is the InChIKey of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YYECSHZZSFKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c19-18(20,21)11-5-7-12(8-6-11)22-15-4-2-1-3-14(15)16-24-26-27(25-16)9-13-10-29-17(28)23-13/h1-8,13,22H,9-10H2,(H,23,28).
What are the key properties of 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one?
4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 404.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135372049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).