2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate

C12H10F3N3O3 — CID 65173469

IUPAC2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
SMILESCc1cc(-c2nnco2)ccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C12H10F3N3O3/c1-7-4-8(10-18-16-6-21-10)2-3-9(7)17-11(19)20-5-12(13,14)15/h2-4,6H,5H2,1H3,(H,17,19)
InChIKeyMTHRPSGWBHYRLG-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.16
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate

2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate (PubChem CID 65173469) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
PubChem CID65173469
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
SMILESCc1cc(-c2nnco2)ccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C12H10F3N3O3/c1-7-4-8(10-18-16-6-21-10)2-3-9(7)17-11(19)20-5-12(13,14)15/h2-4,6H,5H2,1H3,(H,17,19)
InChIKeyMTHRPSGWBHYRLG-UHFFFAOYSA-N
XLogP3.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 79345905
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 116675868
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
2,2,2-trifluoroethyl N-(3-hydroxy-2,4-dimethylphenyl)carbamate
CID 65173317
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate (CID 65173469) is 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate is Cc1cc(-c2nnco2)ccc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The InChIKey is MTHRPSGWBHYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-7-4-8(10-18-16-6-21-10)2-3-9(7)17-11(19)20-5-12(13,14)15/h2-4,6H,5H2,1H3,(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate?
2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate has a molecular weight of 301.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 65173469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).